cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C20H26N6O — CID 56879733

IUPACcyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1cc(C)n(C2CCN(c3ncnc4c3CCN(C(=O)C3CC3)C4)C2)n1
InChIInChI=1S/C20H26N6O/c1-13-9-14(2)26(23-13)16-5-7-24(10-16)19-17-6-8-25(20(27)15-3-4-15)11-18(17)21-12-22-19/h9,12,15-16H,3-8,10-11H2,1-2H3
InChIKeyGNWCHIPDVXSXFV-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.04
Rot. Bonds3

About cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56879733) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56879733
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Namecyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1cc(C)n(C2CCN(c3ncnc4c3CCN(C(=O)C3CC3)C4)C2)n1
InChIInChI=1S/C20H26N6O/c1-13-9-14(2)26(23-13)16-5-7-24(10-16)19-17-6-8-25(20(27)15-3-4-15)11-18(17)21-12-22-19/h9,12,15-16H,3-8,10-11H2,1-2H3
InChIKeyGNWCHIPDVXSXFV-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56879733) is cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1cc(C)n(C2CCN(c3ncnc4c3CCN(C(=O)C3CC3)C4)C2)n1.
What is the InChIKey of cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is GNWCHIPDVXSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-9-14(2)26(23-13)16-5-7-24(10-16)19-17-6-8-25(20(27)15-3-4-15)11-18(17)21-12-22-19/h9,12,15-16H,3-8,10-11H2,1-2H3.
What are the key properties of cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56879733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).