N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide

C28H24N6O2 — CID 118069693

IUPACN-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCn1cc(-c2ccc(NC(=O)c3cc(C4CC4)cn(-c4ccccc4)c3=O)cc2)c2c(N)ncnc21
InChIInChI=1S/C28H24N6O2/c1-33-15-23(24-25(29)30-16-31-26(24)33)18-9-11-20(12-10-18)32-27(35)22-13-19(17-7-8-17)14-34(28(22)36)21-5-3-2-4-6-21/h2-6,9-17H,7-8H2,1H3,(H,32,35)(H2,29,30,31)
InChIKeySVLVXXGIEXRIMU-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.50
Rot. Bonds5

About N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide

N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 118069693) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID118069693
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCn1cc(-c2ccc(NC(=O)c3cc(C4CC4)cn(-c4ccccc4)c3=O)cc2)c2c(N)ncnc21
InChIInChI=1S/C28H24N6O2/c1-33-15-23(24-25(29)30-16-31-26(24)33)18-9-11-20(12-10-18)32-27(35)22-13-19(17-7-8-17)14-34(28(22)36)21-5-3-2-4-6-21/h2-6,9-17H,7-8H2,1H3,(H,32,35)(H2,29,30,31)
InChIKeySVLVXXGIEXRIMU-UHFFFAOYSA-N
XLogP4.50
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide (CID 118069693) is N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide is Cn1cc(-c2ccc(NC(=O)c3cc(C4CC4)cn(-c4ccccc4)c3=O)cc2)c2c(N)ncnc21.
What is the InChIKey of N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is SVLVXXGIEXRIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-33-15-23(24-25(29)30-16-31-26(24)33)18-9-11-20(12-10-18)32-27(35)22-13-19(17-7-8-17)14-34(28(22)36)21-5-3-2-4-6-21/h2-6,9-17H,7-8H2,1H3,(H,32,35)(H2,29,30,31).
What are the key properties of N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide?
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-cyclopropyl-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 118069693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).