(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide

C16H20N4O3 — CID 110203679

IUPAC(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)C[C@H]1CO
InChIInChI=1S/C16H20N4O3/c1-17-15(22)12-8-20(7-10(12)9-21)16(23)14-11-5-3-4-6-13(11)19(2)18-14/h3-6,10,12,21H,7-9H2,1-2H3,(H,17,22)/t10-,12+/m0/s1
InChIKeyHQKYEGZOTZPOGX-CMPLNLGQSA-N
MW316.36 g/mol
LogP-0.00
Rot. Bonds3

About (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110203679) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110203679
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)C[C@H]1CO
InChIInChI=1S/C16H20N4O3/c1-17-15(22)12-8-20(7-10(12)9-21)16(23)14-11-5-3-4-6-13(11)19(2)18-14/h3-6,10,12,21H,7-9H2,1-2H3,(H,17,22)/t10-,12+/m0/s1
InChIKeyHQKYEGZOTZPOGX-CMPLNLGQSA-N
XLogP-0.00
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91910006
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide (CID 110203679) is (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)C[C@H]1CO.
What is the InChIKey of (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is HQKYEGZOTZPOGX-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-17-15(22)12-8-20(7-10(12)9-21)16(23)14-11-5-3-4-6-13(11)19(2)18-14/h3-6,10,12,21H,7-9H2,1-2H3,(H,17,22)/t10-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).