(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide

C26H25ClN8O3 — CID 135204928

IUPAC(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
SMILESCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)
InChIKeyDROSFHKHAAIBHD-UHFFFAOYSA-N
MW532.99 g/mol
LogP4.02
Rot. Bonds8

About (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide

(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide (PubChem CID 135204928) has the molecular formula C26H25ClN8O3 and a molecular weight of 532.99 g/mol. Its IUPAC name is (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
PubChem CID135204928
Molecular FormulaC26H25ClN8O3
Molecular Weight532.99 g/mol
Exact Mass532.17
IUPAC Name(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
SMILESCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)
InChIKeyDROSFHKHAAIBHD-UHFFFAOYSA-N
XLogP4.02
TPSA121.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.99
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135206046
2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 135315721
2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
CID 135211513
2-[4-[2-(1-amino-4,4-difluoro-3-oxobut-1-enyl)-5-chlorophenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 162598085
2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135205719
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205382
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]butanamide
CID 135205934
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)indazol-5-yl]butanamide
CID 135204990
4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-2-fluorobenzamide
CID 135205430
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylhexanamide
CID 135205951
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 157250809
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4,4-difluoro-N-quinoxalin-6-ylbutanamide
CID 135205462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide?
The IUPAC name of (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide (CID 135204928) is (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide.
What is the SMILES notation for (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide?
The canonical SMILES for (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide is CCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.
What is the InChIKey of (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide?
The InChIKey is DROSFHKHAAIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37).
What are the key properties of (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide?
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide has a molecular weight of 532.99 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide is sourced from PubChem (CID 135204928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).