[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone

C23H30N6O3 — CID 67208511

IUPAC[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1N
InChIInChI=1S/C23H30N6O3/c1-31-22-19(24)10-16(11-25-22)28-9-7-20-18(13-28)21(27-14-26-20)32-17-6-8-29(12-17)23(30)15-4-2-3-5-15/h10-11,14-15,17H,2-9,12-13,24H2,1H3/t17-/m0/s1
InChIKeyVUUCPRSZYVJNQY-KRWDZBQOSA-N
MW438.53 g/mol
LogP2.19
Rot. Bonds5

About [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone

[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 67208511) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID67208511
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1N
InChIInChI=1S/C23H30N6O3/c1-31-22-19(24)10-16(11-25-22)28-9-7-20-18(13-28)21(27-14-26-20)32-17-6-8-29(12-17)23(30)15-4-2-3-5-15/h10-11,14-15,17H,2-9,12-13,24H2,1H3/t17-/m0/s1
InChIKeyVUUCPRSZYVJNQY-KRWDZBQOSA-N
XLogP2.19
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

(4,4-difluorocyclohexyl)-[3-[[6-(5,6-dimethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
CID 57495275
(3-methoxycyclobutyl)-[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
CID 56651546
2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
CID 56650872
[(3S)-3-[[6-(5,6-dimethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 56652243
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 57495356
[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56651544
[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 118537076
3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]azetidine-1-carboxylic acid
CID 142721359
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
CID 56653268
[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 163690347
[(3S)-3-[[6-(5-chloro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56650539
(4-hydroxycyclohexyl)-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 87106919

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone (CID 67208511) is [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1N.
What is the InChIKey of [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is VUUCPRSZYVJNQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-31-22-19(24)10-16(11-25-22)28-9-7-20-18(13-28)21(27-14-26-20)32-17-6-8-29(12-17)23(30)15-4-2-3-5-15/h10-11,14-15,17H,2-9,12-13,24H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone?
[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 438.53 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 67208511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).