(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C18H17N5O3 — CID 110199067

IUPAC(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H17N5O3/c19-17(24)15-8-12(26-11-4-3-7-20-9-11)10-23(15)18(25)16-13-5-1-2-6-14(13)21-22-16/h1-7,9,12,15H,8,10H2,(H2,19,24)(H,21,22)/t12-,15-/m0/s1
InChIKeyDDKPQBIZGAVQSO-WFASDCNBSA-N
MW351.37 g/mol
LogP1.11
Rot. Bonds4

About (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110199067) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110199067
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H17N5O3/c19-17(24)15-8-12(26-11-4-3-7-20-9-11)10-23(15)18(25)16-13-5-1-2-6-14(13)21-22-16/h1-7,9,12,15H,8,10H2,(H2,19,24)(H,21,22)/t12-,15-/m0/s1
InChIKeyDDKPQBIZGAVQSO-WFASDCNBSA-N
XLogP1.11
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11495551
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CID 52933917
CID 52933917
CID 56596227
CID 56596227
CID 56596231
CID 56596231
CID 56941655
CID 56941655
CID 56941774
CID 56941774
CID 57394348
CID 57394348
CID 67124352
CID 67124352
CID 71714669
CID 71714669

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110199067) is (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is DDKPQBIZGAVQSO-WFASDCNBSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-17(24)15-8-12(26-11-4-3-7-20-9-11)10-23(15)18(25)16-13-5-1-2-6-14(13)21-22-16/h1-7,9,12,15H,8,10H2,(H2,19,24)(H,21,22)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110199067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).