N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

C17H19N5 — CID 156781533

IUPACN-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESc1ncc(-c2cnc3[nH]ccc3c2NC2CCCCC2)cn1
InChIInChI=1S/C17H19N5/c1-2-4-13(5-3-1)22-16-14-6-7-20-17(14)21-10-15(16)12-8-18-11-19-9-12/h6-11,13H,1-5H2,(H2,20,21,22)
InChIKeyLQCPFTVLXUJTBN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds3

About N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 156781533) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID156781533
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESc1ncc(-c2cnc3[nH]ccc3c2NC2CCCCC2)cn1
InChIInChI=1S/C17H19N5/c1-2-4-13(5-3-1)22-16-14-6-7-20-17(14)21-10-15(16)12-8-18-11-19-9-12/h6-11,13H,1-5H2,(H2,20,21,22)
InChIKeyLQCPFTVLXUJTBN-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 156781533) is N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is c1ncc(-c2cnc3[nH]ccc3c2NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is LQCPFTVLXUJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-4-13(5-3-1)22-16-14-6-7-20-17(14)21-10-15(16)12-8-18-11-19-9-12/h6-11,13H,1-5H2,(H2,20,21,22).
What are the key properties of N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 156781533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).