2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide

C20H21N5O2 — CID 46226329

IUPAC2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
SMILESCN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C20H21N5O2/c1-24-11-3-6-17(24)20(27)22-14-7-9-15(10-8-14)25-12-13-4-2-5-16(19(21)26)18(13)23-25/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H2,21,26)(H,22,27)/t17-/m0/s1
InChIKeyMUALPBWISBWOSS-KRWDZBQOSA-N
MW363.42 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide

2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide (PubChem CID 46226329) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
PubChem CID46226329
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
SMILESCN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C20H21N5O2/c1-24-11-3-6-17(24)20(27)22-14-7-9-15(10-8-14)25-12-13-4-2-5-16(19(21)26)18(13)23-25/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H2,21,26)(H,22,27)/t17-/m0/s1
InChIKeyMUALPBWISBWOSS-KRWDZBQOSA-N
XLogP2.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
2-[3-[[4-(4-Butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetic acid
CID 66575818
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
MK 4827
CID 44550597
c-Niraparib
CID 124081212
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199
2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carboxamide
CID 44549378
2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxamide
CID 44549379
2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide (CID 46226329) is 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide is CN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide?
The InChIKey is MUALPBWISBWOSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-11-3-6-17(24)20(27)22-14-7-9-15(10-8-14)25-12-13-4-2-5-16(19(21)26)18(13)23-25/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H2,21,26)(H,22,27)/t17-/m0/s1.
What are the key properties of 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide?
2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).