N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine

C23H18N6 — CID 11581661

IUPACN-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3c[nH]c4ncc(-c5cccnc5)cc34)ncn2)cc1
InChIInChI=1S/C23H18N6/c1-2-5-16(6-3-1)11-25-22-10-21(28-15-29-22)20-14-27-23-19(20)9-18(13-26-23)17-7-4-8-24-12-17/h1-10,12-15H,11H2,(H,26,27)(H,25,28,29)
InChIKeyRLFADQQHFDBITN-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.69
Rot. Bonds5

About N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine

N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine (PubChem CID 11581661) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
PubChem CID11581661
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC NameN-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3c[nH]c4ncc(-c5cccnc5)cc34)ncn2)cc1
InChIInChI=1S/C23H18N6/c1-2-5-16(6-3-1)11-25-22-10-21(28-15-29-22)20-14-27-23-19(20)9-18(13-26-23)17-7-4-8-24-12-17/h1-10,12-15H,11H2,(H,26,27)(H,25,28,29)
InChIKeyRLFADQQHFDBITN-UHFFFAOYSA-N
XLogP4.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine;N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 158347023
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 11522531
N-[(4-chlorophenyl)methyl]-5-[methoxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58087853
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
CID 71304559
N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
CID 143234929
(E)-N-methyl-3-[3-[3-[6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421310
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine (CID 11581661) is N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine is c1ccc(CNc2cc(-c3c[nH]c4ncc(-c5cccnc5)cc34)ncn2)cc1.
What is the InChIKey of N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine?
The InChIKey is RLFADQQHFDBITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c1-2-5-16(6-3-1)11-25-22-10-21(28-15-29-22)20-14-27-23-19(20)9-18(13-26-23)17-7-4-8-24-12-17/h1-10,12-15H,11H2,(H,26,27)(H,25,28,29).
What are the key properties of N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine?
N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine has a molecular weight of 378.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 11581661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).