N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C21H23N5O — CID 118381273

IUPACN-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C21H23N5O/c27-21(23-17-4-5-17)20-18-10-15(3-6-19(18)24-25-20)16-9-14(11-22-12-16)13-26-7-1-2-8-26/h3,6,9-12,17H,1-2,4-5,7-8,13H2,(H,23,27)(H,24,25)
InChIKeyFFJGQMMQEQZTRX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.11
Rot. Bonds5

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

N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381273) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381273
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C21H23N5O/c27-21(23-17-4-5-17)20-18-10-15(3-6-19(18)24-25-20)16-9-14(11-22-12-16)13-26-7-1-2-8-26/h3,6,9-12,17H,1-2,4-5,7-8,13H2,(H,23,27)(H,24,25)
InChIKeyFFJGQMMQEQZTRX-UHFFFAOYSA-N
XLogP3.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381273) is N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is FFJGQMMQEQZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(23-17-4-5-17)20-18-10-15(3-6-19(18)24-25-20)16-9-14(11-22-12-16)13-26-7-1-2-8-26/h3,6,9-12,17H,1-2,4-5,7-8,13H2,(H,23,27)(H,24,25).
What are the key properties of N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).