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

C23H24N6O — CID 92575045

IUPAC(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCc2nc(N3CCCC3)nc(Nc3ccccc3)c2C1
InChIInChI=1S/C23H24N6O/c30-22(17-8-11-24-12-9-17)29-15-10-20-19(16-29)21(25-18-6-2-1-3-7-18)27-23(26-20)28-13-4-5-14-28/h1-3,6-9,11-12H,4-5,10,13-16H2,(H,25,26,27)
InChIKeyCFXLSHSMVIBDLS-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.41
Rot. Bonds4

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

(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone (PubChem CID 92575045) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
PubChem CID92575045
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCc2nc(N3CCCC3)nc(Nc3ccccc3)c2C1
InChIInChI=1S/C23H24N6O/c30-22(17-8-11-24-12-9-17)29-15-10-20-19(16-29)21(25-18-6-2-1-3-7-18)27-23(26-20)28-13-4-5-14-28/h1-3,6-9,11-12H,4-5,10,13-16H2,(H,25,26,27)
InChIKeyCFXLSHSMVIBDLS-UHFFFAOYSA-N
XLogP3.41
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(2-piperidin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855739
N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
CID 46854707
4-[[2-piperidin-1-yl-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]benzoic acid
CID 58972557
[4-(dimethylamino)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46160361
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7264631
(4-bromophenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786935
(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 46050995
furan-2-yl-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 83279074
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695
(2-methylphenyl)-(4-morpholin-4-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 46050939

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone (CID 92575045) is (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCc2nc(N3CCCC3)nc(Nc3ccccc3)c2C1.
What is the InChIKey of (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone?
The InChIKey is CFXLSHSMVIBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c30-22(17-8-11-24-12-9-17)29-15-10-20-19(16-29)21(25-18-6-2-1-3-7-18)27-23(26-20)28-13-4-5-14-28/h1-3,6-9,11-12H,4-5,10,13-16H2,(H,25,26,27).
What are the key properties of (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone?
(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone has a molecular weight of 400.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 92575045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).