N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide

C19H25N7O2S — CID 56848778

About N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide

N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide (PubChem CID 56848778) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide
• PubChem CID: 56848778
• Molecular Formula: C19H25N7O2S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.18
• IUPAC Name: N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide
• SMILES: CC(C)S(=O)(=O)Nc1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1
• InChI: InChI=1S/C19H25N7O2S/c1-13(2)29(27,28)24-14-4-5-17(21-10-14)25(3)15-7-9-26(11-15)19-16-6-8-20-18(16)22-12-23-19/h4-6,8,10,12-13,15,24H,7,9,11H2,1-3H3,(H,20,22,23)/t15-/m1/s1
• InChIKey: YKBZQRXTJNNAKC-OAHLLOKOSA-N
• XLogP: 2.22
• TPSA: 107.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide?

The IUPAC name of N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide (CID 56848778) is N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide.

What is the SMILES notation for N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide?

The canonical SMILES for N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1.

What is the InChIKey of N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide?

The InChIKey is YKBZQRXTJNNAKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-13(2)29(27,28)24-14-4-5-17(21-10-14)25(3)15-7-9-26(11-15)19-16-6-8-20-18(16)22-12-23-19/h4-6,8,10,12-13,15,24H,7,9,11H2,1-3H3,(H,20,22,23)/t15-/m1/s1.

What are the key properties of N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide?

N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 56848778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).