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

C23H30N6O — CID 139431477

IUPAC5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(CN5CCCC5)CC4)c3c2)cn1
InChIInChI=1S/C23H30N6O/c1-28-15-18(13-24-28)17-6-9-21-20(12-17)22(27-26-21)23(30)25-19-7-4-16(5-8-19)14-29-10-2-3-11-29/h6,9,12-13,15-16,19H,2-5,7-8,10-11,14H2,1H3,(H,25,30)(H,26,27)
InChIKeyNOVXPENZDVJDDY-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.35
Rot. Bonds5

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

5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 139431477) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide
PubChem CID139431477
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(CN5CCCC5)CC4)c3c2)cn1
InChIInChI=1S/C23H30N6O/c1-28-15-18(13-24-28)17-6-9-21-20(12-17)22(27-26-21)23(30)25-19-7-4-16(5-8-19)14-29-10-2-3-11-29/h6,9,12-13,15-16,19H,2-5,7-8,10-11,14H2,1H3,(H,25,30)(H,26,27)
InChIKeyNOVXPENZDVJDDY-UHFFFAOYSA-N
XLogP3.35
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide (CID 139431477) is 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(CN5CCCC5)CC4)c3c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide?
The InChIKey is NOVXPENZDVJDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-28-15-18(13-24-28)17-6-9-21-20(12-17)22(27-26-21)23(30)25-19-7-4-16(5-8-19)14-29-10-2-3-11-29/h6,9,12-13,15-16,19H,2-5,7-8,10-11,14H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide?
5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).