N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C21H25N5O — CID 118381231

IUPACN-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C21H25N5O/c1-14(2)23-21(27)20-18-10-16(5-6-19(18)24-25-20)17-9-15(11-22-12-17)13-26-7-3-4-8-26/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyQQSBPJPTYYIUQB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.36
Rot. Bonds5

About N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381231) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381231
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C21H25N5O/c1-14(2)23-21(27)20-18-10-16(5-6-19(18)24-25-20)17-9-15(11-22-12-17)13-26-7-3-4-8-26/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyQQSBPJPTYYIUQB-UHFFFAOYSA-N
XLogP3.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381231) is N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is QQSBPJPTYYIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(2)23-21(27)20-18-10-16(5-6-19(18)24-25-20)17-9-15(11-22-12-17)13-26-7-3-4-8-26/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).