N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C24H25N7O — CID 89444841

IUPACN-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)cn2)CC1
InChIInChI=1S/C24H25N7O/c1-30-9-11-31(12-10-30)16-20-6-5-19(15-26-20)27-24(32)23-21-13-17(4-7-22(21)28-29-23)18-3-2-8-25-14-18/h2-8,13-15H,9-12,16H2,1H3,(H,27,32)(H,28,29)
InChIKeyONKHKERFMSOGOO-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.02
Rot. Bonds5

About N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 89444841) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID89444841
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)cn2)CC1
InChIInChI=1S/C24H25N7O/c1-30-9-11-31(12-10-30)16-20-6-5-19(15-26-20)27-24(32)23-21-13-17(4-7-22(21)28-29-23)18-3-2-8-25-14-18/h2-8,13-15H,9-12,16H2,1H3,(H,27,32)(H,28,29)
InChIKeyONKHKERFMSOGOO-UHFFFAOYSA-N
XLogP3.02
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 89444841) is N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)cn2)CC1.
What is the InChIKey of N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is ONKHKERFMSOGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-30-9-11-31(12-10-30)16-20-6-5-19(15-26-20)27-24(32)23-21-13-17(4-7-22(21)28-29-23)18-3-2-8-25-14-18/h2-8,13-15H,9-12,16H2,1H3,(H,27,32)(H,28,29).
What are the key properties of N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).