(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

C24H31N5O4 — CID 56651546

IUPAC(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
SMILESCOc1ncc(N2CCc3ncnc(OC4CCN(C(=O)C5CC(OC)C5)C4)c3C2)cc1C
InChIInChI=1S/C24H31N5O4/c1-15-8-17(11-25-22(15)32-3)28-7-5-21-20(13-28)23(27-14-26-21)33-18-4-6-29(12-18)24(30)16-9-19(10-16)31-2/h8,11,14,16,18-19H,4-7,9-10,12-13H2,1-3H3
InChIKeyLQYOBARKHFQPSE-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.16
Rot. Bonds6

About (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

(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 (PubChem CID 56651546) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID56651546
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name(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
SMILESCOc1ncc(N2CCc3ncnc(OC4CCN(C(=O)C5CC(OC)C5)C4)c3C2)cc1C
InChIInChI=1S/C24H31N5O4/c1-15-8-17(11-25-22(15)32-3)28-7-5-21-20(13-28)23(27-14-26-21)33-18-4-6-29(12-18)24(30)16-9-19(10-16)31-2/h8,11,14,16,18-19H,4-7,9-10,12-13H2,1-3H3
InChIKeyLQYOBARKHFQPSE-UHFFFAOYSA-N
XLogP2.16
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
[(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-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
(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
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-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-[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
(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
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
(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-1-(1,2-oxazol-3-yl)pyrrolidin-1-ium-1-carbaldehyde
CID 90146705
[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ncc(N2CCc3ncnc(OC4CCN(C(=O)C5CC(OC)C5)C4)c3C2)cc1C.
What is the InChIKey of (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?
The InChIKey is LQYOBARKHFQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-15-8-17(11-25-22(15)32-3)28-7-5-21-20(13-28)23(27-14-26-21)33-18-4-6-29(12-18)24(30)16-9-19(10-16)31-2/h8,11,14,16,18-19H,4-7,9-10,12-13H2,1-3H3.
What are the key properties of (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?
(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 has a molecular weight of 453.54 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 56651546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).