5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine

C25H29ClN6O — CID 170019899

IUPAC5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine
SMILESCOc1nc(-c2cc(Cl)c3cc(N(CC(C)C)C4CC[C@H]4C)cnc3n2)cn2cc(C)nc12
InChIInChI=1S/C25H29ClN6O/c1-14(2)11-32(22-7-6-15(22)3)17-8-18-19(26)9-20(29-23(18)27-10-17)21-13-31-12-16(4)28-24(31)25(30-21)33-5/h8-10,12-15,22H,6-7,11H2,1-5H3/t15-,22?/m1/s1
InChIKeyLMNGEFBCUCTSEQ-JGHKVMFLSA-N
MW465.00 g/mol
LogP5.57
Rot. Bonds6

About 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine

5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine (PubChem CID 170019899) has the molecular formula C25H29ClN6O and a molecular weight of 465.00 g/mol. Its IUPAC name is 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine.

Molecular Properties

Compound Name5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine
PubChem CID170019899
Molecular FormulaC25H29ClN6O
Molecular Weight465.00 g/mol
Exact Mass464.21
IUPAC Name5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine
SMILESCOc1nc(-c2cc(Cl)c3cc(N(CC(C)C)C4CC[C@H]4C)cnc3n2)cn2cc(C)nc12
InChIInChI=1S/C25H29ClN6O/c1-14(2)11-32(22-7-6-15(22)3)17-8-18-19(26)9-20(29-23(18)27-10-17)21-13-31-12-16(4)28-24(31)25(30-21)33-5/h8-10,12-15,22H,6-7,11H2,1-5H3/t15-,22?/m1/s1
InChIKeyLMNGEFBCUCTSEQ-JGHKVMFLSA-N
XLogP5.57
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine?
The IUPAC name of 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine (CID 170019899) is 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine.
What is the SMILES notation for 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine?
The canonical SMILES for 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine is COc1nc(-c2cc(Cl)c3cc(N(CC(C)C)C4CC[C@H]4C)cnc3n2)cn2cc(C)nc12.
What is the InChIKey of 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine?
The InChIKey is LMNGEFBCUCTSEQ-JGHKVMFLSA-N. The full InChI is InChI=1S/C25H29ClN6O/c1-14(2)11-32(22-7-6-15(22)3)17-8-18-19(26)9-20(29-23(18)27-10-17)21-13-31-12-16(4)28-24(31)25(30-21)33-5/h8-10,12-15,22H,6-7,11H2,1-5H3/t15-,22?/m1/s1.
What are the key properties of 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine?
5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine has a molecular weight of 465.00 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-N-[(2R)-2-methylcyclobutyl]-N-(2-methylpropyl)-1,8-naphthyridin-3-amine is sourced from PubChem (CID 170019899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).