(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H32N6O3S — CID 137366258

IUPAC(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OC2CCC2)nc2[nH]ccc12
InChIInChI=1S/C25H32N6O3S/c1-16-12-21-20(24(28-15-27-21)17-7-10-30(11-8-17)35(2,32)33)14-31(16)22-13-23(34-18-4-3-5-18)29-25-19(22)6-9-26-25/h6,9,13,15-18H,3-5,7-8,10-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyNTJBRWCPWPSADF-MRXNPFEDSA-N
MW496.64 g/mol
LogP3.37
Rot. Bonds5

About (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 137366258) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID137366258
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC Name(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OC2CCC2)nc2[nH]ccc12
InChIInChI=1S/C25H32N6O3S/c1-16-12-21-20(24(28-15-27-21)17-7-10-30(11-8-17)35(2,32)33)14-31(16)22-13-23(34-18-4-3-5-18)29-25-19(22)6-9-26-25/h6,9,13,15-18H,3-5,7-8,10-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyNTJBRWCPWPSADF-MRXNPFEDSA-N
XLogP3.37
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 137366258) is (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OC2CCC2)nc2[nH]ccc12.
What is the InChIKey of (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NTJBRWCPWPSADF-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-16-12-21-20(24(28-15-27-21)17-7-10-30(11-8-17)35(2,32)33)14-31(16)22-13-23(34-18-4-3-5-18)29-25-19(22)6-9-26-25/h6,9,13,15-18H,3-5,7-8,10-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 496.64 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(6-cyclobutyloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 137366258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).