N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide

C21H21N7O — CID 146634559

IUPACN-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
SMILESCNCc1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-n4cnnc4)c3)cc12
InChIInChI=1S/C21H21N7O/c1-22-9-15-10-23-20(27-21(29)13-5-6-13)19-17(15)8-18(26-19)14-3-2-4-16(7-14)28-11-24-25-12-28/h2-4,7-8,10-13,22,26H,5-6,9H2,1H3,(H,23,27,29)
InChIKeyUGPUNUIHMSBGSE-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.88
Rot. Bonds6

About N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide

N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide (PubChem CID 146634559) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
PubChem CID146634559
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
SMILESCNCc1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-n4cnnc4)c3)cc12
InChIInChI=1S/C21H21N7O/c1-22-9-15-10-23-20(27-21(29)13-5-6-13)19-17(15)8-18(26-19)14-3-2-4-16(7-14)28-11-24-25-12-28/h2-4,7-8,10-13,22,26H,5-6,9H2,1H3,(H,23,27,29)
InChIKeyUGPUNUIHMSBGSE-UHFFFAOYSA-N
XLogP2.88
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592284
7-(cyclopropanecarbonylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592251
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592237
7-(cyclopropanecarbonylamino)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635236
7-(cyclopropanecarbonylamino)-N-methyl-2-[2-(4-oxopiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634379
7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592193
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592200
7-(cyclopropanecarbonylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592225
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
N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626917
N-[2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-4-[hydroxy(methylamino)methyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146635162

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide (CID 146634559) is N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide is CNCc1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-n4cnnc4)c3)cc12.
What is the InChIKey of N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is UGPUNUIHMSBGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-22-9-15-10-23-20(27-21(29)13-5-6-13)19-17(15)8-18(26-19)14-3-2-4-16(7-14)28-11-24-25-12-28/h2-4,7-8,10-13,22,26H,5-6,9H2,1H3,(H,23,27,29).
What are the key properties of N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide?
N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146634559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).