4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide

C22H20FN5O2 — CID 135963278

IUPAC4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1
InChIInChI=1S/C22H20FN5O2/c1-12(2)20(17-11-19(29)27-21(26-17)16-7-3-4-9-24-16)28-22(30)18-10-13-14(23)6-5-8-15(13)25-18/h3-12,20,25H,1-2H3,(H,28,30)(H,26,27,29)/t20-/m1/s1
InChIKeyLWHAZXJGZZTREF-HXUWFJFHSA-N
MW405.43 g/mol
LogP3.58
Rot. Bonds5

About 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide

4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 135963278) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
PubChem CID135963278
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1
InChIInChI=1S/C22H20FN5O2/c1-12(2)20(17-11-19(29)27-21(26-17)16-7-3-4-9-24-16)28-22(30)18-10-13-14(23)6-5-8-15(13)25-18/h3-12,20,25H,1-2H3,(H,28,30)(H,26,27,29)/t20-/m1/s1
InChIKeyLWHAZXJGZZTREF-HXUWFJFHSA-N
XLogP3.58
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide (CID 135963278) is 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide is CC(C)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1.
What is the InChIKey of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is LWHAZXJGZZTREF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-12(2)20(17-11-19(29)27-21(26-17)16-7-3-4-9-24-16)28-22(30)18-10-13-14(23)6-5-8-15(13)25-18/h3-12,20,25H,1-2H3,(H,28,30)(H,26,27,29)/t20-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide?
4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 135963278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).