2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine

C23H23BrN6 — CID 90280668

IUPAC2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine
SMILESBrC1=Cc2cnc(Nc3ccc(Nc4ccccc4)cn3)nc2N(C2CCCC2)C1
InChIInChI=1S/C23H23BrN6/c24-17-12-16-13-26-23(29-22(16)30(15-17)20-8-4-5-9-20)28-21-11-10-19(14-25-21)27-18-6-2-1-3-7-18/h1-3,6-7,10-14,20,27H,4-5,8-9,15H2,(H,25,26,28,29)
InChIKeyLXZZRXQKUPTLIV-UHFFFAOYSA-N
MW463.38 g/mol
LogP5.86
Rot. Bonds5

About 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine

2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine (PubChem CID 90280668) has the molecular formula C23H23BrN6 and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine
PubChem CID90280668
Molecular FormulaC23H23BrN6
Molecular Weight463.38 g/mol
Exact Mass462.12
IUPAC Name2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine
SMILESBrC1=Cc2cnc(Nc3ccc(Nc4ccccc4)cn3)nc2N(C2CCCC2)C1
InChIInChI=1S/C23H23BrN6/c24-17-12-16-13-26-23(29-22(16)30(15-17)20-8-4-5-9-20)28-21-11-10-19(14-25-21)27-18-6-2-1-3-7-18/h1-3,6-7,10-14,20,27H,4-5,8-9,15H2,(H,25,26,28,29)
InChIKeyLXZZRXQKUPTLIV-UHFFFAOYSA-N
XLogP5.86
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine?
The IUPAC name of 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine (CID 90280668) is 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine is BrC1=Cc2cnc(Nc3ccc(Nc4ccccc4)cn3)nc2N(C2CCCC2)C1.
What is the InChIKey of 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine?
The InChIKey is LXZZRXQKUPTLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6/c24-17-12-16-13-26-23(29-22(16)30(15-17)20-8-4-5-9-20)28-21-11-10-19(14-25-21)27-18-6-2-1-3-7-18/h1-3,6-7,10-14,20,27H,4-5,8-9,15H2,(H,25,26,28,29).
What are the key properties of 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine?
2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine has a molecular weight of 463.38 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine is sourced from PubChem (CID 90280668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).