N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide

C25H25ClN6O5 — CID 90328813

IUPACN-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide
SMILESCOc1cc(-n2ccc(N3CCO[C@H](C(C)(O)C(=O)Nc4ccc5[nH]c(C)c(Cl)c5c4)C3=O)n2)ccn1
InChIInChI=1S/C25H25ClN6O5/c1-14-21(26)17-12-15(4-5-18(17)28-14)29-24(34)25(2,35)22-23(33)31(10-11-37-22)19-7-9-32(30-19)16-6-8-27-20(13-16)36-3/h4-9,12-13,22,28,35H,10-11H2,1-3H3,(H,29,34)/t22-,25?/m0/s1
InChIKeyMNMAZIWCUIOOJH-XADRRFQNSA-N
MW524.97 g/mol
LogP2.84
Rot. Bonds6

About N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide

N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide (PubChem CID 90328813) has the molecular formula C25H25ClN6O5 and a molecular weight of 524.97 g/mol. Its IUPAC name is N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide
PubChem CID90328813
Molecular FormulaC25H25ClN6O5
Molecular Weight524.97 g/mol
Exact Mass524.16
IUPAC NameN-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide
SMILESCOc1cc(-n2ccc(N3CCO[C@H](C(C)(O)C(=O)Nc4ccc5[nH]c(C)c(Cl)c5c4)C3=O)n2)ccn1
InChIInChI=1S/C25H25ClN6O5/c1-14-21(26)17-12-15(4-5-18(17)28-14)29-24(34)25(2,35)22-23(33)31(10-11-37-22)19-7-9-32(30-19)16-6-8-27-20(13-16)36-3/h4-9,12-13,22,28,35H,10-11H2,1-3H3,(H,29,34)/t22-,25?/m0/s1
InChIKeyMNMAZIWCUIOOJH-XADRRFQNSA-N
XLogP2.84
TPSA134.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.97
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide (CID 90328813) is N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide is COc1cc(-n2ccc(N3CCO[C@H](C(C)(O)C(=O)Nc4ccc5[nH]c(C)c(Cl)c5c4)C3=O)n2)ccn1.
What is the InChIKey of N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide?
The InChIKey is MNMAZIWCUIOOJH-XADRRFQNSA-N. The full InChI is InChI=1S/C25H25ClN6O5/c1-14-21(26)17-12-15(4-5-18(17)28-14)29-24(34)25(2,35)22-23(33)31(10-11-37-22)19-7-9-32(30-19)16-6-8-27-20(13-16)36-3/h4-9,12-13,22,28,35H,10-11H2,1-3H3,(H,29,34)/t22-,25?/m0/s1.
What are the key properties of N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide?
N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide has a molecular weight of 524.97 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methyl-1H-indol-5-yl)-2-hydroxy-2-[(2R)-4-[1-(2-methoxy-4-pyridinyl)pyrazol-3-yl]-3-oxomorpholin-2-yl]propanamide is sourced from PubChem (CID 90328813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).