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

C24H32N6O3S — CID 137366456

IUPAC(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2cc[nH]c2n1
InChIInChI=1S/C24H32N6O3S/c1-15(2)33-22-12-21(18-5-8-25-24(18)28-22)30-13-19-20(11-16(30)3)26-14-27-23(19)17-6-9-29(10-7-17)34(4,31)32/h5,8,12,14-17H,6-7,9-11,13H2,1-4H3,(H,25,28)/t16-/m1/s1
InChIKeyZHKZHJUZJUCMBZ-MRXNPFEDSA-N
MW484.63 g/mol
LogP3.23
Rot. Bonds5

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

(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 137366456) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID137366456
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2cc[nH]c2n1
InChIInChI=1S/C24H32N6O3S/c1-15(2)33-22-12-21(18-5-8-25-24(18)28-22)30-13-19-20(11-16(30)3)26-14-27-23(19)17-6-9-29(10-7-17)34(4,31)32/h5,8,12,14-17H,6-7,9-11,13H2,1-4H3,(H,25,28)/t16-/m1/s1
InChIKeyZHKZHJUZJUCMBZ-MRXNPFEDSA-N
XLogP3.23
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 137366456) is (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2cc[nH]c2n1.
What is the InChIKey of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZHKZHJUZJUCMBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-15(2)33-22-12-21(18-5-8-25-24(18)28-22)30-13-19-20(11-16(30)3)26-14-27-23(19)17-6-9-29(10-7-17)34(4,31)32/h5,8,12,14-17H,6-7,9-11,13H2,1-4H3,(H,25,28)/t16-/m1/s1.
What are the key properties of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 484.63 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(6-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 137366456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).