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

C19H19N5O3 — CID 110198728

IUPAC(2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N5O3/c1-20-18(25)16-9-13(27-12-5-4-8-21-10-12)11-24(16)19(26)17-14-6-2-3-7-15(14)22-23-17/h2-8,10,13,16H,9,11H2,1H3,(H,20,25)(H,22,23)/t13-,16-/m0/s1
InChIKeyLABULJUWFWSFFJ-BBRMVZONSA-N
MW365.39 g/mol
LogP1.37
Rot. Bonds4

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

(2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198728) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198728
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name(2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H19N5O3/c1-20-18(25)16-9-13(27-12-5-4-8-21-10-12)11-24(16)19(26)17-14-6-2-3-7-15(14)22-23-17/h2-8,10,13,16H,9,11H2,1H3,(H,20,25)(H,22,23)/t13-,16-/m0/s1
InChIKeyLABULJUWFWSFFJ-BBRMVZONSA-N
XLogP1.37
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280161
3-(1,4-diazepan-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933429
N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933916
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225589
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11495551
[(1S)-2-{[6-(3-furanyl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy}-1-(1H-indol-3-ylmethyl)ethyl]amine
CID 46225573
N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933917

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198728) is (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is LABULJUWFWSFFJ-BBRMVZONSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-20-18(25)16-9-13(27-12-5-4-8-21-10-12)11-24(16)19(26)17-14-6-2-3-7-15(14)22-23-17/h2-8,10,13,16H,9,11H2,1H3,(H,20,25)(H,22,23)/t13-,16-/m0/s1.
What are the key properties of (2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(1H-indazole-3-carbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.37, 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)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).