(3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C82H88F11N39O9S4 — CID 157240212

About (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

(3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 157240212) has the molecular formula C82H88F11N39O9S4 and a molecular weight of 2101.12 g/mol. Its IUPAC name is (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• PubChem CID: 157240212
• Molecular Formula: C82H88F11N39O9S4
• Molecular Weight: 2101.12 g/mol
• Exact Mass: 2099.63
• IUPAC Name: (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• SMILES: NC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.NS(=O)(=O)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NS(=O)(=O)N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NS(N)(=O)(O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NS(N)(=O)(O)N[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
• InChI: InChI=1S/C18H11F3N6O.2C16H21F2N9O2S.C16H18F2N8O2S.C16H17F2N7O2S/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15;2*17-15(18)11-9-27-12(6-23-14(27)7-22-11)16-21-4-3-13(24-16)26-5-1-2-10(8-26)25-30(19,20,28)29;17-15(18)11-9-26-12(6-22-14(26)7-21-11)16-20-4-3-13(23-16)25-5-1-2-10(8-25)24-29(19,27)28;17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-4-3-13(23-16)24-5-1-2-10(8-24)28(19,26)27/h1-8,16H,(H2,22,28);2*3-4,6-7,9-10,15H,1-2,5,8H2,(H6,19,20,25,28,29);3-4,6-7,9-10,15,24H,1-2,5,8H2,(H2,19,27,28);3-4,6-7,9-10,15H,1-2,5,8H2,(H2,19,26,27)/t;10-;;10-;/m.1.0./s1
• InChIKey: AVCUEWFDXZJKOE-IOZJKRBZSA-N
• XLogP: 6.57
• TPSA: 670.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2101.12
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The IUPAC name of (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 157240212) is (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

What is the SMILES notation for (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The canonical SMILES for (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is NC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.NS(=O)(=O)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NS(=O)(=O)N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NS(N)(=O)(O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NS(N)(=O)(O)N[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.

What is the InChIKey of (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The InChIKey is AVCUEWFDXZJKOE-IOZJKRBZSA-N. The full InChI is InChI=1S/C18H11F3N6O.2C16H21F2N9O2S.C16H18F2N8O2S.C16H17F2N7O2S/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15;2*17-15(18)11-9-27-12(6-23-14(27)7-22-11)16-21-4-3-13(24-16)26-5-1-2-10(8-26)25-30(19,20,28)29;17-15(18)11-9-26-12(6-22-14(26)7-21-11)16-20-4-3-13(23-16)25-5-1-2-10(8-25)24-29(19,27)28;17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-4-3-13(23-16)24-5-1-2-10(8-24)28(19,26)27/h1-8,16H,(H2,22,28);2*3-4,6-7,9-10,15H,1-2,5,8H2,(H6,19,20,25,28,29);3-4,6-7,9-10,15,24H,1-2,5,8H2,(H2,19,27,28);3-4,6-7,9-10,15H,1-2,5,8H2,(H2,19,26,27)/t;10-;;10-;/m.1.0./s1.

What are the key properties of (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

(3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 2101.12 g/mol, XLogP of 6.57, 23 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-sulfonamide;6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157240212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).