[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C22H23N5O4 — CID 110198641

IUPAC[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C22H23N5O4/c28-21(26-8-10-30-11-9-26)19-12-16(31-15-4-3-7-23-13-15)14-27(19)22(29)20-17-5-1-2-6-18(17)24-25-20/h1-7,13,16,19H,8-12,14H2,(H,24,25)/t16-,19-/m0/s1
InChIKeyXJBJPHVYYGCRDW-LPHOPBHVSA-N
MW421.46 g/mol
LogP1.48
Rot. Bonds4

About [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110198641) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110198641
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C22H23N5O4/c28-21(26-8-10-30-11-9-26)19-12-16(31-15-4-3-7-23-13-15)14-27(19)22(29)20-17-5-1-2-6-18(17)24-25-20/h1-7,13,16,19H,8-12,14H2,(H,24,25)/t16-,19-/m0/s1
InChIKeyXJBJPHVYYGCRDW-LPHOPBHVSA-N
XLogP1.48
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110198641) is [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12)N1CCOCC1.
What is the InChIKey of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is XJBJPHVYYGCRDW-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H23N5O4/c28-21(26-8-10-30-11-9-26)19-12-16(31-15-4-3-7-23-13-15)14-27(19)22(29)20-17-5-1-2-6-18(17)24-25-20/h1-7,13,16,19H,8-12,14H2,(H,24,25)/t16-,19-/m0/s1.
What are the key properties of [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 421.46 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110198641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).