6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine

C20H22ClN5 — CID 87187575

IUPAC6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine
SMILESClc1cc(-c2c[nH]c3nccnc23)cc(NC2CCCC(C3CC3)C2)n1
InChIInChI=1S/C20H22ClN5/c21-17-9-14(16-11-24-20-19(16)22-6-7-23-20)10-18(26-17)25-15-3-1-2-13(8-15)12-4-5-12/h6-7,9-13,15H,1-5,8H2,(H,23,24)(H,25,26)
InChIKeyFBUICHKZLFTOFM-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.05
Rot. Bonds4

About 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine

6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine (PubChem CID 87187575) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine
PubChem CID87187575
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine
SMILESClc1cc(-c2c[nH]c3nccnc23)cc(NC2CCCC(C3CC3)C2)n1
InChIInChI=1S/C20H22ClN5/c21-17-9-14(16-11-24-20-19(16)22-6-7-23-20)10-18(26-17)25-15-3-1-2-13(8-15)12-4-5-12/h6-7,9-13,15H,1-5,8H2,(H,23,24)(H,25,26)
InChIKeyFBUICHKZLFTOFM-UHFFFAOYSA-N
XLogP5.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine (CID 87187575) is 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine is Clc1cc(-c2c[nH]c3nccnc23)cc(NC2CCCC(C3CC3)C2)n1.
What is the InChIKey of 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine?
The InChIKey is FBUICHKZLFTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c21-17-9-14(16-11-24-20-19(16)22-6-7-23-20)10-18(26-17)25-15-3-1-2-13(8-15)12-4-5-12/h6-7,9-13,15H,1-5,8H2,(H,23,24)(H,25,26).
What are the key properties of 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine?
6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine has a molecular weight of 367.88 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyclopropylcyclohexyl)-4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine is sourced from PubChem (CID 87187575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).