2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C34H42N6 — CID 71240739

IUPAC2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C4CC4)cnc4[nH]ccc34)nc(N3CCCC(C)(C)C3)c2C1
InChIInChI=1S/C34H42N6/c1-21(2)24-8-7-22(3)29(17-24)39-16-12-28-27(19-39)33(40-15-6-13-34(4,5)20-40)38-32(37-28)30-25-11-14-35-31(25)36-18-26(30)23-9-10-23/h7-8,11,14,17-18,21,23H,6,9-10,12-13,15-16,19-20H2,1-5H3,(H,35,36)
InChIKeyFOAJIVAAKZFSHD-UHFFFAOYSA-N
MW534.75 g/mol
LogP7.52
Rot. Bonds5

About 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240739) has the molecular formula C34H42N6 and a molecular weight of 534.75 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71240739
Molecular FormulaC34H42N6
Molecular Weight534.75 g/mol
Exact Mass534.35
IUPAC Name2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C4CC4)cnc4[nH]ccc34)nc(N3CCCC(C)(C)C3)c2C1
InChIInChI=1S/C34H42N6/c1-21(2)24-8-7-22(3)29(17-24)39-16-12-28-27(19-39)33(40-15-6-13-34(4,5)20-40)38-32(37-28)30-25-11-14-35-31(25)36-18-26(30)23-9-10-23/h7-8,11,14,17-18,21,23H,6,9-10,12-13,15-16,19-20H2,1-5H3,(H,35,36)
InChIKeyFOAJIVAAKZFSHD-UHFFFAOYSA-N
XLogP7.52
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.75
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240739) is 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C4CC4)cnc4[nH]ccc34)nc(N3CCCC(C)(C)C3)c2C1.
What is the InChIKey of 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FOAJIVAAKZFSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6/c1-21(2)24-8-7-22(3)29(17-24)39-16-12-28-27(19-39)33(40-15-6-13-34(4,5)20-40)38-32(37-28)30-25-11-14-35-31(25)36-18-26(30)23-9-10-23/h7-8,11,14,17-18,21,23H,6,9-10,12-13,15-16,19-20H2,1-5H3,(H,35,36).
What are the key properties of 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 534.75 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-(3,3-dimethylpiperidin-1-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).