(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone

C15H14N4O — CID 141348770

IUPAC(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
SMILESCC(C)n1cc(C(=O)c2cccnc2)c2cncnc21
InChIInChI=1S/C15H14N4O/c1-10(2)19-8-13(12-7-17-9-18-15(12)19)14(20)11-4-3-5-16-6-11/h3-10H,1-2H3
InChIKeyLWGLJERGJYMOSJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.64
Rot. Bonds3

About (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone

(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone (PubChem CID 141348770) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
PubChem CID141348770
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
SMILESCC(C)n1cc(C(=O)c2cccnc2)c2cncnc21
InChIInChI=1S/C15H14N4O/c1-10(2)19-8-13(12-7-17-9-18-15(12)19)14(20)11-4-3-5-16-6-11/h3-10H,1-2H3
InChIKeyLWGLJERGJYMOSJ-UHFFFAOYSA-N
XLogP2.64
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683887
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 90683906
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide
CID 90683926
5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 90683872
4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683868
2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683826
(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
CID 141348766
[5-(benzhydrylideneamino)-3-pyridinyl]-[7-[(2S)-1-methoxypropan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 148722154
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 70817901
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90683861
2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-1H-pyridin-3-yl]acetamide
CID 121331846

Frequently Asked Questions

What is the IUPAC name of (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
The IUPAC name of (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone (CID 141348770) is (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone is CC(C)n1cc(C(=O)c2cccnc2)c2cncnc21.
What is the InChIKey of (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
The InChIKey is LWGLJERGJYMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(2)19-8-13(12-7-17-9-18-15(12)19)14(20)11-4-3-5-16-6-11/h3-10H,1-2H3.
What are the key properties of (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone has a molecular weight of 266.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 141348770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).