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

C25H29N7O2 — CID 155674842

IUPAC2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
SMILESCOc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4ccn[nH]4)C3)C2=O)cc1
InChIInChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyCBHUSCSYQHQLDW-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.72
Rot. Bonds7

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

2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one (PubChem CID 155674842) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
PubChem CID155674842
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
SMILESCOc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4ccn[nH]4)C3)C2=O)cc1
InChIInChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyCBHUSCSYQHQLDW-UHFFFAOYSA-N
XLogP2.72
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-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'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
The IUPAC name of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one (CID 155674842) is 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-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'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
The canonical SMILES for 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one is COc1ccc(N2Cc3cnc(NCC4CC4)nc3C3(CCN(Cc4ccn[nH]4)C3)C2=O)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
The InChIKey is CBHUSCSYQHQLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-34-21-6-4-20(5-7-21)32-14-18-13-27-24(26-12-17-2-3-17)29-22(18)25(23(32)33)9-11-31(16-25)15-19-8-10-28-30-19/h4-8,10,13,17H,2-3,9,11-12,14-16H2,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one?
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one has a molecular weight of 459.55 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one is sourced from PubChem (CID 155674842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).