N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide

C23H28N6O2 — CID 175258863

IUPACN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
SMILESCCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C23H28N6O2/c1-3-21(30)24-18-8-9-20-19(14-18)22(27-26-20)23(31)25-17-6-4-16(5-7-17)15-29-12-10-28(2)11-13-29/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,30)(H,25,31)(H,26,27)
InChIKeyRZRSMCDHCUOWMP-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.91
Rot. Bonds6

About N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide (PubChem CID 175258863) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
PubChem CID175258863
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
SMILESCCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C23H28N6O2/c1-3-21(30)24-18-8-9-20-19(14-18)22(27-26-20)23(31)25-17-6-4-16(5-7-17)15-29-12-10-28(2)11-13-29/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,30)(H,25,31)(H,26,27)
InChIKeyRZRSMCDHCUOWMP-UHFFFAOYSA-N
XLogP2.91
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
CID 175258856
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382350
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381994
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 160538281
5-[(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 130368490
5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 175258867
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
CID 78865849
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381872
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381916
5-[2-ethyl-3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144929034

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide (CID 175258863) is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide is CCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
The InChIKey is RZRSMCDHCUOWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-3-21(30)24-18-8-9-20-19(14-18)22(27-26-20)23(31)25-17-6-4-16(5-7-17)15-29-12-10-28(2)11-13-29/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,30)(H,25,31)(H,26,27).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide is sourced from PubChem (CID 175258863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).