cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C20H29N5O — CID 56878120

IUPACcyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(C1CC1)N1CCc2c(ncnc2NCCC23CCCN2CCC3)C1
InChIInChI=1S/C20H29N5O/c26-19(15-3-4-15)24-12-5-16-17(13-24)22-14-23-18(16)21-9-8-20-6-1-10-25(20)11-2-7-20/h14-15H,1-13H2,(H,21,22,23)
InChIKeyXJJQDXDSNSLDQO-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.20
Rot. Bonds5

About cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56878120) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56878120
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Namecyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(C1CC1)N1CCc2c(ncnc2NCCC23CCCN2CCC3)C1
InChIInChI=1S/C20H29N5O/c26-19(15-3-4-15)24-12-5-16-17(13-24)22-14-23-18(16)21-9-8-20-6-1-10-25(20)11-2-7-20/h14-15H,1-13H2,(H,21,22,23)
InChIKeyXJJQDXDSNSLDQO-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-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

cyclopropyl-[4-(2-morpholin-4-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56876629
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone
CID 59160145
[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
CID 56865157
cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56874784
[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56868340
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone
CID 59160215
[4-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
CID 95559101
cyclopropyl-[4-[(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)methyl]piperidin-1-yl]methanone
CID 56893346
1-[4-(2-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(azepan-1-yl)ethanone
CID 59160067
[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 95551667
N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide
CID 59663286
N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
CID 71127571

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56878120) is cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is O=C(C1CC1)N1CCc2c(ncnc2NCCC23CCCN2CCC3)C1.
What is the InChIKey of cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is XJJQDXDSNSLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c26-19(15-3-4-15)24-12-5-16-17(13-24)22-14-23-18(16)21-9-8-20-6-1-10-25(20)11-2-7-20/h14-15H,1-13H2,(H,21,22,23).
What are the key properties of cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 355.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56878120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).