5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C18H27N5O — CID 128994905

IUPAC5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1CC(CNCc1ccn(C)c1)CC2
InChIInChI=1S/C18H27N5O/c1-13(2)21-18(24)16-11-20-23-7-5-14(8-17(16)23)9-19-10-15-4-6-22(3)12-15/h4,6,11-14,19H,5,7-10H2,1-3H3,(H,21,24)
InChIKeyBNTWBIUCXLTHFL-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.71
Rot. Bonds6

About 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128994905) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID128994905
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1CC(CNCc1ccn(C)c1)CC2
InChIInChI=1S/C18H27N5O/c1-13(2)21-18(24)16-11-20-23-7-5-14(8-17(16)23)9-19-10-15-4-6-22(3)12-15/h4,6,11-14,19H,5,7-10H2,1-3H3,(H,21,24)
InChIKeyBNTWBIUCXLTHFL-UHFFFAOYSA-N
XLogP1.71
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[[(4-cyanobenzoyl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129325025
(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129352651
5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994391
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 138045424
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
(4-methylpiperazin-1-yl)-[(5S)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
CID 129323917
(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
CID 129323918
(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129474634
(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128974725

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128994905) is 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)NC(=O)c1cnn2c1CC(CNCc1ccn(C)c1)CC2.
What is the InChIKey of 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BNTWBIUCXLTHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)21-18(24)16-11-20-23-7-5-14(8-17(16)23)9-19-10-15-4-6-22(3)12-15/h4,6,11-14,19H,5,7-10H2,1-3H3,(H,21,24).
What are the key properties of 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128994905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).