[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C23H29N5O2 — CID 160653908

IUPAC[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCc2cnc(CC3CCOCC3)nc2C1)N1CCCC1c1cccnc1
InChIInChI=1S/C23H29N5O2/c29-23(28-9-2-4-21(28)19-3-1-8-24-14-19)27-10-5-18-15-25-22(26-20(18)16-27)13-17-6-11-30-12-7-17/h1,3,8,14-15,17,21H,2,4-7,9-13,16H2
InChIKeyRKUGHNZOPDIFBR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.16
Rot. Bonds3

About [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 160653908) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID160653908
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCc2cnc(CC3CCOCC3)nc2C1)N1CCCC1c1cccnc1
InChIInChI=1S/C23H29N5O2/c29-23(28-9-2-4-21(28)19-3-1-8-24-14-19)27-10-5-18-15-25-22(26-20(18)16-27)13-17-6-11-30-12-7-17/h1,3,8,14-15,17,21H,2,4-7,9-13,16H2
InChIKeyRKUGHNZOPDIFBR-UHFFFAOYSA-N
XLogP3.16
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 159336770
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
N-[(1R)-1-(4-fluorophenyl)propyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159160288
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45218773
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 160969179
2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
(E)-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)but-2-enoic acid
CID 43578410

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 160653908) is [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(N1CCc2cnc(CC3CCOCC3)nc2C1)N1CCCC1c1cccnc1.
What is the InChIKey of [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is RKUGHNZOPDIFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-23(28-9-2-4-21(28)19-3-1-8-24-14-19)27-10-5-18-15-25-22(26-20(18)16-27)13-17-6-11-30-12-7-17/h1,3,8,14-15,17,21H,2,4-7,9-13,16H2.
What are the key properties of [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 407.52 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 160653908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).