[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone

C23H25N5OS — CID 46958031

IUPAC[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2nc(N3CCCC3)nc(CCc3cccnc3)c2C1
InChIInChI=1S/C23H25N5OS/c29-22(21-6-4-14-30-21)28-13-9-20-18(16-28)19(8-7-17-5-3-10-24-15-17)25-23(26-20)27-11-1-2-12-27/h3-6,10,14-15H,1-2,7-9,11-13,16H2
InChIKeyINVGEVZXZVRUBW-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.52
Rot. Bonds5

About [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone

[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone (PubChem CID 46958031) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
PubChem CID46958031
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2nc(N3CCCC3)nc(CCc3cccnc3)c2C1
InChIInChI=1S/C23H25N5OS/c29-22(21-6-4-14-30-21)28-13-9-20-18(16-28)19(8-7-17-5-3-10-24-15-17)25-23(26-20)27-11-1-2-12-27/h3-6,10,14-15H,1-2,7-9,11-13,16H2
InChIKeyINVGEVZXZVRUBW-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 46050995
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050646
[4-(2-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 42871142
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 137381673
N-[5-(pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527032
N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908
[4-(4-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050324
[4-(4-methylphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050417
(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 92575045
6-(pyridin-3-ylmethyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681562
[2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 131646546

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone (CID 46958031) is [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCc2nc(N3CCCC3)nc(CCc3cccnc3)c2C1.
What is the InChIKey of [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone?
The InChIKey is INVGEVZXZVRUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c29-22(21-6-4-14-30-21)28-13-9-20-18(16-28)19(8-7-17-5-3-10-24-15-17)25-23(26-20)27-11-1-2-12-27/h3-6,10,14-15H,1-2,7-9,11-13,16H2.
What are the key properties of [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone?
[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone has a molecular weight of 419.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46958031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).