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

C24H30N6O3S — CID 137366493

IUPAC(7R)-6-(6-cyclopropyloxy-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(OC2CC2)nc2[nH]ccc12
InChIInChI=1S/C24H30N6O3S/c1-15-11-20-19(23(27-14-26-20)16-6-9-29(10-7-16)34(2,31)32)13-30(15)21-12-22(33-17-3-4-17)28-24-18(21)5-8-25-24/h5,8,12,14-17H,3-4,6-7,9-11,13H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeyQLLBTPKJLRJNHD-OAHLLOKOSA-N
MW482.61 g/mol
LogP2.98
Rot. Bonds5

About (7R)-6-(6-cyclopropyloxy-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-cyclopropyloxy-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 137366493) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is (7R)-6-(6-cyclopropyloxy-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-cyclopropyloxy-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 CID137366493
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name(7R)-6-(6-cyclopropyloxy-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(OC2CC2)nc2[nH]ccc12
InChIInChI=1S/C24H30N6O3S/c1-15-11-20-19(23(27-14-26-20)16-6-9-29(10-7-16)34(2,31)32)13-30(15)21-12-22(33-17-3-4-17)28-24-18(21)5-8-25-24/h5,8,12,14-17H,3-4,6-7,9-11,13H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeyQLLBTPKJLRJNHD-OAHLLOKOSA-N
XLogP2.98
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-6-(6-cyclopropyloxy-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-cyclopropyloxy-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-cyclopropyloxy-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 137366493) is (7R)-6-(6-cyclopropyloxy-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-cyclopropyloxy-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-cyclopropyloxy-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(OC2CC2)nc2[nH]ccc12.
What is the InChIKey of (7R)-6-(6-cyclopropyloxy-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 QLLBTPKJLRJNHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-15-11-20-19(23(27-14-26-20)16-6-9-29(10-7-16)34(2,31)32)13-30(15)21-12-22(33-17-3-4-17)28-24-18(21)5-8-25-24/h5,8,12,14-17H,3-4,6-7,9-11,13H2,1-2H3,(H,25,28)/t15-/m1/s1.
What are the key properties of (7R)-6-(6-cyclopropyloxy-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-cyclopropyloxy-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 482.61 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(6-cyclopropyloxy-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 137366493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).