[4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate

C24H30N6O3 — CID 139513462

IUPAC[4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate
SMILESC[C@@H]1Cc2ncnc(C3CCNCC3)c2CN1c1ccnc2c1ccn2OC(=O)C(C)(C)O
InChIInChI=1S/C24H30N6O3/c1-15-12-19-18(21(28-14-27-19)16-4-8-25-9-5-16)13-29(15)20-6-10-26-22-17(20)7-11-30(22)33-23(31)24(2,3)32/h6-7,10-11,14-16,25,32H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1
InChIKeySCDNTMZTGBHXGW-OAHLLOKOSA-N
MW450.54 g/mol
LogP1.97
Rot. Bonds4

About [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate

[4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate (PubChem CID 139513462) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name[4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate
PubChem CID139513462
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name[4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate
SMILESC[C@@H]1Cc2ncnc(C3CCNCC3)c2CN1c1ccnc2c1ccn2OC(=O)C(C)(C)O
InChIInChI=1S/C24H30N6O3/c1-15-12-19-18(21(28-14-27-19)16-4-8-25-9-5-16)13-29(15)20-6-10-26-22-17(20)7-11-30(22)33-23(31)24(2,3)32/h6-7,10-11,14-16,25,32H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1
InChIKeySCDNTMZTGBHXGW-OAHLLOKOSA-N
XLogP1.97
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate?
The IUPAC name of [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate (CID 139513462) is [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate?
The canonical SMILES for [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate is C[C@@H]1Cc2ncnc(C3CCNCC3)c2CN1c1ccnc2c1ccn2OC(=O)C(C)(C)O.
What is the InChIKey of [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate?
The InChIKey is SCDNTMZTGBHXGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-15-12-19-18(21(28-14-27-19)16-4-8-25-9-5-16)13-29(15)20-6-10-26-22-17(20)7-11-30(22)33-23(31)24(2,3)32/h6-7,10-11,14-16,25,32H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate?
[4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate has a molecular weight of 450.54 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7R)-7-methyl-4-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 139513462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).