2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one

C25H28N6O2S — CID 155674879

IUPAC2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
SMILESCOc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cscn4)C3)C2=O)cc1
InChIInChI=1S/C25H28N6O2S/c1-33-21-6-4-20(5-7-21)31-12-18-11-27-24(26-10-17-2-3-17)29-22(18)25(23(31)32)8-9-30(15-25)13-19-14-34-16-28-19/h4-7,11,14,16-17H,2-3,8-10,12-13,15H2,1H3,(H,26,27,29)
InChIKeyLNQCEIDJPQDIQB-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.45
Rot. Bonds7

About 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one

2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one (PubChem CID 155674879) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
PubChem CID155674879
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC Name2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
SMILESCOc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cscn4)C3)C2=O)cc1
InChIInChI=1S/C25H28N6O2S/c1-33-21-6-4-20(5-7-21)31-12-18-11-27-24(26-10-17-2-3-17)29-22(18)25(23(31)32)8-9-30(15-25)13-19-14-34-16-28-19/h4-7,11,14,16-17H,2-3,8-10,12-13,15H2,1H3,(H,26,27,29)
InChIKeyLNQCEIDJPQDIQB-UHFFFAOYSA-N
XLogP3.45
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
The IUPAC name of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one (CID 155674879) is 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one.
What is the SMILES notation for 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
The canonical SMILES for 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one is COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4cscn4)C3)C2=O)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
The InChIKey is LNQCEIDJPQDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-33-21-6-4-20(5-7-21)31-12-18-11-27-24(26-10-17-2-3-17)29-22(18)25(23(31)32)8-9-30(15-25)13-19-14-34-16-28-19/h4-7,11,14,16-17H,2-3,8-10,12-13,15H2,1H3,(H,26,27,29).
What are the key properties of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one has a molecular weight of 476.61 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one is sourced from PubChem (CID 155674879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).