6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid

C19H24N6O3 — CID 151172241

IUPAC6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid
SMILESCC(C)n1cc(C2=CCC(C(=O)O)C(C(=O)NC3CC3)N2)c2c(N)ncnc21
InChIInChI=1S/C19H24N6O3/c1-9(2)25-7-12(14-16(20)21-8-22-17(14)25)13-6-5-11(19(27)28)15(24-13)18(26)23-10-3-4-10/h6-11,15,24H,3-5H2,1-2H3,(H,23,26)(H,27,28)(H2,20,21,22)
InChIKeyNCNJRYRDBZJVCT-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.28
Rot. Bonds5

About 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid

6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid (PubChem CID 151172241) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid
PubChem CID151172241
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid
SMILESCC(C)n1cc(C2=CCC(C(=O)O)C(C(=O)NC3CC3)N2)c2c(N)ncnc21
InChIInChI=1S/C19H24N6O3/c1-9(2)25-7-12(14-16(20)21-8-22-17(14)25)13-6-5-11(19(27)28)15(24-13)18(26)23-10-3-4-10/h6-11,15,24H,3-5H2,1-2H3,(H,23,26)(H,27,28)(H2,20,21,22)
InChIKeyNCNJRYRDBZJVCT-UHFFFAOYSA-N
XLogP1.28
TPSA135.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclopropylimidazo[1,2-a]pyridine-2-carboxamide
CID 121334817
3-[2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)ethynyl]-N-cyclopropyl-4-methylbenzamide
CID 86292777
5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide
CID 121334801
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 142624730
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59021381
N-[2-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitrophenyl]acetamide
CID 19597537
1-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-[4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]urea;2,2,2-trifluoroacetic acid
CID 175837682
(2S,3S,4R,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-N-(4-hydroxycyclohexyl)oxolane-2-carboxamide
CID 170777233
(2S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(4-hydroxycyclohexyl)oxolane-2-carboxamide
CID 163256707
1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-chlorophenyl]-3-phenylurea
CID 67219823
2-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-nitrobenzaldehyde
CID 54456511

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid?
The IUPAC name of 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid (CID 151172241) is 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid is CC(C)n1cc(C2=CCC(C(=O)O)C(C(=O)NC3CC3)N2)c2c(N)ncnc21.
What is the InChIKey of 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid?
The InChIKey is NCNJRYRDBZJVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-9(2)25-7-12(14-16(20)21-8-22-17(14)25)13-6-5-11(19(27)28)15(24-13)18(26)23-10-3-4-10/h6-11,15,24H,3-5H2,1-2H3,(H,23,26)(H,27,28)(H2,20,21,22).
What are the key properties of 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid?
6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-2-(cyclopropylcarbamoyl)-1,2,3,4-tetrahydropyridine-3-carboxylic acid is sourced from PubChem (CID 151172241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).