4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C33H33N7O3 — CID 155235073

IUPAC4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C33H33N7O3/c1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t28-/m1/s1
InChIKeyDHRWSSOSGNJVOC-MUUNZHRXSA-N
MW575.67 g/mol
LogP4.69
Rot. Bonds6

About 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 155235073) has the molecular formula C33H33N7O3 and a molecular weight of 575.67 g/mol. Its IUPAC name is 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID155235073
Molecular FormulaC33H33N7O3
Molecular Weight575.67 g/mol
Exact Mass575.26
IUPAC Name4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C33H33N7O3/c1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t28-/m1/s1
InChIKeyDHRWSSOSGNJVOC-MUUNZHRXSA-N
XLogP4.69
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 155235073) is 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is DHRWSSOSGNJVOC-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H33N7O3/c1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t28-/m1/s1.
What are the key properties of 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 575.67 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155235073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).