N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide

C22H25N9O — CID 155812314

IUPACN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3ccnc4ccnn34)cc2)CC1
InChIInChI=1S/C22H25N9O/c1-29-10-12-30(13-11-29)15-16-2-4-17(5-3-16)26-22(32)21-18(14-24-28-21)27-20-6-8-23-19-7-9-25-31(19)20/h2-9,14,27H,10-13,15H2,1H3,(H,24,28)(H,26,32)
InChIKeyBHGXOIGEMUXNAX-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.20
Rot. Bonds6

About N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide (PubChem CID 155812314) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide
PubChem CID155812314
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3ccnc4ccnn34)cc2)CC1
InChIInChI=1S/C22H25N9O/c1-29-10-12-30(13-11-29)15-16-2-4-17(5-3-16)26-22(32)21-18(14-24-28-21)27-20-6-8-23-19-7-9-25-31(19)20/h2-9,14,27H,10-13,15H2,1H3,(H,24,28)(H,26,32)
InChIKeyBHGXOIGEMUXNAX-UHFFFAOYSA-N
XLogP2.20
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(furo[3,2-c]pyridin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 118570936
4-(3-methoxypropylcarbamoylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 53379913
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-(1,2,4-triazol-1-ylsulfonyl)furan-3-yl]propyl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 164926321
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
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
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
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide (CID 155812314) is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3ccnc4ccnn34)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is BHGXOIGEMUXNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c1-29-10-12-30(13-11-29)15-16-2-4-17(5-3-16)26-22(32)21-18(14-24-28-21)27-20-6-8-23-19-7-9-25-31(19)20/h2-9,14,27H,10-13,15H2,1H3,(H,24,28)(H,26,32).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide?
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrazolo[1,5-a]pyrimidin-7-ylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 155812314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).