(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide

C14H18N4O2 — CID 72886878

IUPAC(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C14H18N4O2/c1-20-9-10-4-3-7-18(10)14(19)16-12-5-2-6-13-11(12)8-15-17-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)(H,16,19)/t10-/m0/s1
InChIKeyHOIGKCDPDYEGAK-JTQLQIEISA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds3

About (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide

(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 72886878) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID72886878
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C14H18N4O2/c1-20-9-10-4-3-7-18(10)14(19)16-12-5-2-6-13-11(12)8-15-17-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)(H,16,19)/t10-/m0/s1
InChIKeyHOIGKCDPDYEGAK-JTQLQIEISA-N
XLogP2.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide
CID 97436050
(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72929137
2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 115316435
(2S)-N-[2-ethyl-5-(1,2,4-triazol-4-yl)phenyl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72846407
2-amino-N-(1H-indazol-4-yl)-4-methoxybutanamide
CID 55080535
(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72842591
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
N-(1H-indazol-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423269
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
CID 79547105

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide (CID 72886878) is (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide is COC[C@@H]1CCCN1C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is HOIGKCDPDYEGAK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-9-10-4-3-7-18(10)14(19)16-12-5-2-6-13-11(12)8-15-17-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)(H,16,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72886878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).