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

C24H30N6O2 — CID 137366299

IUPAC2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1Cc2ncnc(C3CCN(C(=O)C(C)(C)O)CC3)c2CN1c1ccnc2[nH]ccc12
InChIInChI=1S/C24H30N6O2/c1-15-12-19-18(13-30(15)20-5-9-26-22-17(20)4-8-25-22)21(28-14-27-19)16-6-10-29(11-7-16)23(31)24(2,3)32/h4-5,8-9,14-16,32H,6-7,10-13H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyHEUGQXHPNLLQSA-OAHLLOKOSA-N
MW434.54 g/mol
LogP2.78
Rot. Bonds3

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

2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 137366299) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID137366299
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1Cc2ncnc(C3CCN(C(=O)C(C)(C)O)CC3)c2CN1c1ccnc2[nH]ccc12
InChIInChI=1S/C24H30N6O2/c1-15-12-19-18(13-30(15)20-5-9-26-22-17(20)4-8-25-22)21(28-14-27-19)16-6-10-29(11-7-16)23(31)24(2,3)32/h4-5,8-9,14-16,32H,6-7,10-13H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyHEUGQXHPNLLQSA-OAHLLOKOSA-N
XLogP2.78
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 137366299) is 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one is C[C@@H]1Cc2ncnc(C3CCN(C(=O)C(C)(C)O)CC3)c2CN1c1ccnc2[nH]ccc12.
What is the InChIKey of 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HEUGQXHPNLLQSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15-12-19-18(13-30(15)20-5-9-26-22-17(20)4-8-25-22)21(28-14-27-19)16-6-10-29(11-7-16)23(31)24(2,3)32/h4-5,8-9,14-16,32H,6-7,10-13H2,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[4-[(7R)-7-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 137366299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).