N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C21H19N5O — CID 129206885

IUPACN-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccnc(NC5CC5)n4)c3c2)cc1
InChIInChI=1S/C21H19N5O/c1-27-16-6-2-13(3-7-16)14-10-17-18(12-24-20(17)23-11-14)19-8-9-22-21(26-19)25-15-4-5-15/h2-3,6-12,15H,4-5H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyVXOWESAIMFTIDK-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.27
Rot. Bonds5

About N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 129206885) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID129206885
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccnc(NC5CC5)n4)c3c2)cc1
InChIInChI=1S/C21H19N5O/c1-27-16-6-2-13(3-7-16)14-10-17-18(12-24-20(17)23-11-14)19-8-9-22-21(26-19)25-15-4-5-15/h2-3,6-12,15H,4-5H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyVXOWESAIMFTIDK-UHFFFAOYSA-N
XLogP4.27
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206403
N-cyclopropyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206903
4-[3-[2-(cyclopropylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 129206893
N-cycloheptyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206420
N-cyclopentyl-4-[5-(2-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206908
N-cycloheptyl-4-[5-(2-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206396
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 166271542
3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 136582865
(2R,3R)-3-[[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 57388701
4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70148912

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 129206885) is N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is COc1ccc(-c2cnc3[nH]cc(-c4ccnc(NC5CC5)n4)c3c2)cc1.
What is the InChIKey of N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is VXOWESAIMFTIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-16-6-2-13(3-7-16)14-10-17-18(12-24-20(17)23-11-14)19-8-9-22-21(26-19)25-15-4-5-15/h2-3,6-12,15H,4-5H2,1H3,(H,23,24)(H,22,25,26).
What are the key properties of N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 129206885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).