4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

C20H28N6O — CID 155955429

IUPAC4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCCC4N)cc2)CC1
InChIInChI=1S/C20H28N6O/c1-24-9-11-25(12-10-24)14-15-4-6-16(7-5-15)22-20(27)18-13-19-17(21)3-2-8-26(19)23-18/h4-7,13,17H,2-3,8-12,14,21H2,1H3,(H,22,27)
InChIKeyRUJFYIQPYRCEDW-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.68
Rot. Bonds4

About 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 155955429) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID155955429
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCCC4N)cc2)CC1
InChIInChI=1S/C20H28N6O/c1-24-9-11-25(12-10-24)14-15-4-6-16(7-5-15)22-20(27)18-13-19-17(21)3-2-8-26(19)23-18/h4-7,13,17H,2-3,8-12,14,21H2,1H3,(H,22,27)
InChIKeyRUJFYIQPYRCEDW-UHFFFAOYSA-N
XLogP1.68
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
ethyl [4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108765957
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 155955429) is 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3cc4n(n3)CCCC4N)cc2)CC1.
What is the InChIKey of 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is RUJFYIQPYRCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24-9-11-25(12-10-24)14-15-4-6-16(7-5-15)22-20(27)18-13-19-17(21)3-2-8-26(19)23-18/h4-7,13,17H,2-3,8-12,14,21H2,1H3,(H,22,27).
What are the key properties of 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 155955429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).