trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

C26H22ClN7O — CID 165133904

About trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 165133904) has the molecular formula C26H22ClN7O and a molecular weight of 483.96 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 165133904
• Molecular Formula: C26H22ClN7O
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.16
• IUPAC Name: trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: N#Cc1ccc(Cl)cc1[C@H]1C[C@@H]1C(=O)Nc1cc(NCc2cn3cc(C4CC4)cnc3n2)ccn1
• InChI: InChI=1S/C26H22ClN7O/c27-18-4-3-16(10-28)21(7-18)22-9-23(22)25(35)33-24-8-19(5-6-29-24)30-12-20-14-34-13-17(15-1-2-15)11-31-26(34)32-20/h3-8,11,13-15,22-23H,1-2,9,12H2,(H2,29,30,33,35)/t22-,23+/m1/s1
• InChIKey: VRWBCQKANGBYMG-PKTZIBPZSA-N
• XLogP: 4.88
• TPSA: 108.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 165133904) is trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is N#Cc1ccc(Cl)cc1[C@H]1C[C@@H]1C(=O)Nc1cc(NCc2cn3cc(C4CC4)cnc3n2)ccn1.

What is the InChIKey of trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is VRWBCQKANGBYMG-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H22ClN7O/c27-18-4-3-16(10-28)21(7-18)22-9-23(22)25(35)33-24-8-19(5-6-29-24)30-12-20-14-34-13-17(15-1-2-15)11-31-26(34)32-20/h3-8,11,13-15,22-23H,1-2,9,12H2,(H2,29,30,33,35)/t22-,23+/m1/s1.

What are the key properties of trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165133904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).