N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide

C22H22N6O2S — CID 146644362

About N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide

N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide (PubChem CID 146644362) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
• PubChem CID: 146644362
• Molecular Formula: C22H22N6O2S
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.15
• IUPAC Name: N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
• SMILES: CNC(O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4csc(C)n4)ccn3)cc12
• InChI: InChI=1S/C22H22N6O2S/c1-11-26-18(10-31-11)13-5-6-24-16(7-13)17-8-14-15(22(30)23-2)9-25-20(19(14)27-17)28-21(29)12-3-4-12/h5-10,12,22-23,27,30H,3-4H2,1-2H3,(H,25,28,29)
• InChIKey: MATJXVXDZYFDOL-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 115.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide (CID 146644362) is N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide is CNC(O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4csc(C)n4)ccn3)cc12.

What is the InChIKey of N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?

The InChIKey is MATJXVXDZYFDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-11-26-18(10-31-11)13-5-6-24-16(7-13)17-8-14-15(22(30)23-2)9-25-20(19(14)27-17)28-21(29)12-3-4-12/h5-10,12,22-23,27,30H,3-4H2,1-2H3,(H,25,28,29).

What are the key properties of N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?

N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[hydroxy(methylamino)methyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146644362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).