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

C25H26N6O — CID 139431434

IUPAC5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12
InChIInChI=1S/C25H26N6O/c32-25(27-20-6-3-17(4-7-20)15-30-11-1-2-12-30)24-22-13-18(5-10-23(22)28-29-24)19-14-26-31(16-19)21-8-9-21/h3-7,10,13-14,16,21H,1-2,8-9,11-12,15H2,(H,27,32)(H,28,29)
InChIKeyUOVMYCSVDGDWRK-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.61
Rot. Bonds6

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

5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 139431434) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID139431434
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12
InChIInChI=1S/C25H26N6O/c32-25(27-20-6-3-17(4-7-20)15-30-11-1-2-12-30)24-22-13-18(5-10-23(22)28-29-24)19-14-26-31(16-19)21-8-9-21/h3-7,10,13-14,16,21H,1-2,8-9,11-12,15H2,(H,27,32)(H,28,29)
InChIKeyUOVMYCSVDGDWRK-UHFFFAOYSA-N
XLogP4.61
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 139431434) is 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12.
What is the InChIKey of 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is UOVMYCSVDGDWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c32-25(27-20-6-3-17(4-7-20)15-30-11-1-2-12-30)24-22-13-18(5-10-23(22)28-29-24)19-14-26-31(16-19)21-8-9-21/h3-7,10,13-14,16,21H,1-2,8-9,11-12,15H2,(H,27,32)(H,28,29).
What are the key properties of 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).