[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

C21H30N6O2 — CID 128971210

IUPAC[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(CNCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1
InChIInChI=1S/C21H30N6O2/c1-25-8-10-26(11-9-25)21(28)18-15-23-27-7-6-16(12-19(18)27)13-22-14-17-4-3-5-20(24-17)29-2/h3-5,15-16,22H,6-14H2,1-2H3
InChIKeyJEAVYZWKABUXMO-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.03
Rot. Bonds6

About [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 128971210) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID128971210
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(CNCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1
InChIInChI=1S/C21H30N6O2/c1-25-8-10-26(11-9-25)21(28)18-15-23-27-7-6-16(12-19(18)27)13-22-14-17-4-3-5-20(24-17)29-2/h3-5,15-16,22H,6-14H2,1-2H3
InChIKeyJEAVYZWKABUXMO-UHFFFAOYSA-N
XLogP1.03
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
CID 128971505
[5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 154754441
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
CID 129323519
(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
N-[[3-[3-(dimethylamino)azetidine-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 128989056
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994905
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
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106

Frequently Asked Questions

What is the IUPAC name of [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 128971210) is [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(CNCC2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1.
What is the InChIKey of [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JEAVYZWKABUXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-25-8-10-26(11-9-25)21(28)18-15-23-27-7-6-16(12-19(18)27)13-22-14-17-4-3-5-20(24-17)29-2/h3-5,15-16,22H,6-14H2,1-2H3.
What are the key properties of [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 128971210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).