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6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

C25H25N5O — CID 118381517

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCc1cc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2cc1-c1cccnc1
InChIInChI=1S/C25H25N5O/c1-17-13-23-22(14-21(17)19-5-4-10-26-15-19)24(29-28-23)25(31)27-20-8-6-18(7-9-20)16-30-11-2-3-12-30/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,27,31)(H,28,29)
InChIKeyFVQJJIZZIAFVMK-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.78
Rot. Bonds5

About 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 118381517) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID118381517
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCc1cc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2cc1-c1cccnc1
InChIInChI=1S/C25H25N5O/c1-17-13-23-22(14-21(17)19-5-4-10-26-15-19)24(29-28-23)25(31)27-20-8-6-18(7-9-20)16-30-11-2-3-12-30/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,27,31)(H,28,29)
InChIKeyFVQJJIZZIAFVMK-UHFFFAOYSA-N
XLogP4.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 118381517) is 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is Cc1cc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2cc1-c1cccnc1.
What is the InChIKey of 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is FVQJJIZZIAFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-17-13-23-22(14-21(17)19-5-4-10-26-15-19)24(29-28-23)25(31)27-20-8-6-18(7-9-20)16-30-11-2-3-12-30/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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