(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone

C17H29N5O — CID 129323918

IUPAC(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCC(C)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1
InChIInChI=1S/C17H29N5O/c1-13(2)18-11-14-4-5-22-16(10-14)15(12-19-22)17(23)21-8-6-20(3)7-9-21/h12-14,18H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyGSNHZJJLCUMZAQ-CQSZACIVSA-N
MW319.45 g/mol
LogP0.83
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone

(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 129323918) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID129323918
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCC(C)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1
InChIInChI=1S/C17H29N5O/c1-13(2)18-11-14-4-5-22-16(10-14)15(12-19-22)17(23)21-8-6-20(3)7-9-21/h12-14,18H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyGSNHZJJLCUMZAQ-CQSZACIVSA-N
XLogP0.83
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone with MolForge

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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
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
[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
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
(5R)-N-propan-2-yl-5-[(thiophene-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324176
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994905
3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
CID 129324258
3-cyano-N-[[(5R)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]thiophene-2-carboxamide
CID 129323919
N-[[3-[3-(dimethylamino)azetidine-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 128989056
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone (CID 129323918) is (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone is CC(C)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is GSNHZJJLCUMZAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)18-11-14-4-5-22-16(10-14)15(12-19-22)17(23)21-8-6-20(3)7-9-21/h12-14,18H,4-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(5R)-5-[(propan-2-ylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 129323918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).