(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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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).