N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C17H17N7O — CID 122590930

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCN(C#N)C4)c3c2)cn1
InChIInChI=1S/C17H17N7O/c1-23-8-12(7-19-23)11-2-3-15-14(6-11)16(22-21-15)17(25)20-13-4-5-24(9-13)10-18/h2-3,6-8,13H,4-5,9H2,1H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyGLKFHDRMTXTYJF-CYBMUJFWSA-N
MW335.37 g/mol
LogP1.25
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 122590930) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID122590930
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCN(C#N)C4)c3c2)cn1
InChIInChI=1S/C17H17N7O/c1-23-8-12(7-19-23)11-2-3-15-14(6-11)16(22-21-15)17(25)20-13-4-5-24(9-13)10-18/h2-3,6-8,13H,4-5,9H2,1H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyGLKFHDRMTXTYJF-CYBMUJFWSA-N
XLogP1.25
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 122590930) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCN(C#N)C4)c3c2)cn1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is GLKFHDRMTXTYJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N7O/c1-23-8-12(7-19-23)11-2-3-15-14(6-11)16(22-21-15)17(25)20-13-4-5-24(9-13)10-18/h2-3,6-8,13H,4-5,9H2,1H3,(H,20,25)(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 122590930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).