5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C23H27N5O3 — CID 66959453

IUPAC5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCC[C@@H]3O)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-14-24-19-13-18(15-5-7-16(8-6-15)28-9-11-31-12-10-28)26-22(21(19)23(27)30)25-17-3-2-4-20(17)29/h5-8,13-14,17,20,29H,2-4,9-12H2,1H3,(H,25,26)/t17-,20-/m0/s1
InChIKeyGLDOJVZMUZHRBW-PXNSSMCTSA-N
MW421.50 g/mol
LogP2.16
Rot. Bonds4

About 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959453) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959453
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCC[C@@H]3O)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-14-24-19-13-18(15-5-7-16(8-6-15)28-9-11-31-12-10-28)26-22(21(19)23(27)30)25-17-3-2-4-20(17)29/h5-8,13-14,17,20,29H,2-4,9-12H2,1H3,(H,25,26)/t17-,20-/m0/s1
InChIKeyGLDOJVZMUZHRBW-PXNSSMCTSA-N
XLogP2.16
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959453) is 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCC[C@@H]3O)c2c1=O.
What is the InChIKey of 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GLDOJVZMUZHRBW-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-14-24-19-13-18(15-5-7-16(8-6-15)28-9-11-31-12-10-28)26-22(21(19)23(27)30)25-17-3-2-4-20(17)29/h5-8,13-14,17,20,29H,2-4,9-12H2,1H3,(H,25,26)/t17-,20-/m0/s1.
What are the key properties of 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).