4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

C23H25N7O2 — CID 118570936

IUPAC4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3nccc4occc34)cc2)CC1
InChIInChI=1S/C23H25N7O2/c1-29-9-11-30(12-10-29)15-16-2-4-17(5-3-16)26-23(31)21-19(14-25-28-21)27-22-18-7-13-32-20(18)6-8-24-22/h2-8,13-14H,9-12,15H2,1H3,(H,24,27)(H,25,28)(H,26,31)
InChIKeyFVUVXSSVTTZEOG-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.29
Rot. Bonds6

About 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 118570936) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID118570936
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3nccc4occc34)cc2)CC1
InChIInChI=1S/C23H25N7O2/c1-29-9-11-30(12-10-29)15-16-2-4-17(5-3-16)26-23(31)21-19(14-25-28-21)27-22-18-7-13-32-20(18)6-8-24-22/h2-8,13-14H,9-12,15H2,1H3,(H,24,27)(H,25,28)(H,26,31)
InChIKeyFVUVXSSVTTZEOG-UHFFFAOYSA-N
XLogP3.29
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide
CID 155812314
4-(3-methoxypropylcarbamoylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 53379913
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[[7-[3-[5-(1,2,4-triazol-1-ylsulfonyl)furan-3-yl]propyl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 164926321
4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 172681843
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[[7-[3-[5-methyl-4-(1,2,4-triazol-1-ylsulfonyl)furan-2-yl]propyl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 164926308
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
4-benzyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 53379818
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 70810938
4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 141493476
4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 154751326
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037

Frequently Asked Questions

What is the IUPAC name of 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide (CID 118570936) is 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3nccc4occc34)cc2)CC1.
What is the InChIKey of 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FVUVXSSVTTZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-29-9-11-30(12-10-29)15-16-2-4-17(5-3-16)26-23(31)21-19(14-25-28-21)27-22-18-7-13-32-20(18)6-8-24-22/h2-8,13-14H,9-12,15H2,1H3,(H,24,27)(H,25,28)(H,26,31).
What are the key properties of 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?
4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118570936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).