5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C24H24FN5O2 — CID 58092977

IUPAC5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12)c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O2/c1-14(15-5-8-17(25)9-6-15)28-22-21-19(27-13-30(4)23(21)31)11-18(29-22)16-7-10-20(26-12-16)24(2,3)32/h5-14,32H,1-4H3,(H,28,29)/t14-/m0/s1
InChIKeyQBXNNKLCWYPALT-AWEZNQCLSA-N
MW433.49 g/mol
LogP3.93
Rot. Bonds5

About 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 58092977) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID58092977
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12)c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O2/c1-14(15-5-8-17(25)9-6-15)28-22-21-19(27-13-30(4)23(21)31)11-18(29-22)16-7-10-20(26-12-16)24(2,3)32/h5-14,32H,1-4H3,(H,28,29)/t14-/m0/s1
InChIKeyQBXNNKLCWYPALT-AWEZNQCLSA-N
XLogP3.93
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]-1-iodopropan-2-yl]carbamate
CID 66959609
5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093049
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyridin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959852
7-[4-(1-hydroxyethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924742
7-[4-[(1S)-1-aminoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959635
3-methyl-5-(propan-2-ylamino)-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959246
7-[4-(methoxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959304
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853
7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959241
3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959399
7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methyl-5-[[(2S)-2-methyl-3-methylsulfonylpropyl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 159984128
5-[[(2S)-1-hydroxypropan-2-yl]amino]-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959711

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 58092977) is 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is C[C@H](Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12)c1ccc(F)cc1.
What is the InChIKey of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QBXNNKLCWYPALT-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-14(15-5-8-17(25)9-6-15)28-22-21-19(27-13-30(4)23(21)31)11-18(29-22)16-7-10-20(26-12-16)24(2,3)32/h5-14,32H,1-4H3,(H,28,29)/t14-/m0/s1.
What are the key properties of 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 433.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58092977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).