1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea

C20H23N7O2 — CID 68907389

IUPAC1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea
SMILESCn1cc(C(=O)c2cncc(NC(=O)NC3CCCCC3)c2)c2c(N)ncnc21
InChIInChI=1S/C20H23N7O2/c1-27-10-15(16-18(21)23-11-24-19(16)27)17(28)12-7-14(9-22-8-12)26-20(29)25-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,21,23,24)(H2,25,26,29)
InChIKeyQHEPOQVUFSYNJQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.63
Rot. Bonds4

About 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea (PubChem CID 68907389) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea
PubChem CID68907389
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea
SMILESCn1cc(C(=O)c2cncc(NC(=O)NC3CCCCC3)c2)c2c(N)ncnc21
InChIInChI=1S/C20H23N7O2/c1-27-10-15(16-18(21)23-11-24-19(16)27)17(28)12-7-14(9-22-8-12)26-20(29)25-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,21,23,24)(H2,25,26,29)
InChIKeyQHEPOQVUFSYNJQ-UHFFFAOYSA-N
XLogP2.63
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(3,5-difluorophenyl)urea
CID 68903840
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(4-chlorophenyl)urea
CID 68907412
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(4-chloro-2-methylphenyl)urea
CID 68908358
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68906722
1-(4-acetylphenyl)-3-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]urea
CID 67219021
1-(4-chlorophenyl)-3-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]urea
CID 70817714
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 67219893
1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 110748319
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 67219779
2-(3-chlorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683720
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 64667847

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea?
The IUPAC name of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea (CID 68907389) is 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea?
The canonical SMILES for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea is Cn1cc(C(=O)c2cncc(NC(=O)NC3CCCCC3)c2)c2c(N)ncnc21.
What is the InChIKey of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea?
The InChIKey is QHEPOQVUFSYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-27-10-15(16-18(21)23-11-24-19(16)27)17(28)12-7-14(9-22-8-12)26-20(29)25-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,21,23,24)(H2,25,26,29).
What are the key properties of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea?
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea has a molecular weight of 393.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea is sourced from PubChem (CID 68907389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).