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

C23H27N5O3 — CID 66959612

IUPAC5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@@H](O)C3)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-14-24-20-13-19(15-2-5-17(6-3-15)28-8-10-31-11-9-28)26-22(21(20)23(27)30)25-16-4-7-18(29)12-16/h2-3,5-6,13-14,16,18,29H,4,7-12H2,1H3,(H,25,26)/t16-,18+/m0/s1
InChIKeySRYWLPWNSMQXJJ-FUHWJXTLSA-N
MW421.50 g/mol
LogP2.16
Rot. Bonds4

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

5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959612) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959612
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@@H](O)C3)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-14-24-20-13-19(15-2-5-17(6-3-15)28-8-10-31-11-9-28)26-22(21(20)23(27)30)25-16-4-7-18(29)12-16/h2-3,5-6,13-14,16,18,29H,4,7-12H2,1H3,(H,25,26)/t16-,18+/m0/s1
InChIKeySRYWLPWNSMQXJJ-FUHWJXTLSA-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,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959612) is 5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(1S,3R)-3-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]3CC[C@@H](O)C3)c2c1=O.
What is the InChIKey of 5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SRYWLPWNSMQXJJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-14-24-20-13-19(15-2-5-17(6-3-15)28-8-10-31-11-9-28)26-22(21(20)23(27)30)25-16-4-7-18(29)12-16/h2-3,5-6,13-14,16,18,29H,4,7-12H2,1H3,(H,25,26)/t16-,18+/m0/s1.
What are the key properties of 5-[[(1S,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-[[(1S,3R)-3-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,3R)-3-hydroxycyclopentyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).