4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine

C22H22ClFN6 — CID 170011397

IUPAC4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine
SMILESCc1cn2cc(-c3cc(Cl)c4cc(N5C[C@@H](C)N[C@H](C)C5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C22H22ClFN6/c1-12-8-29(9-13(2)26-12)16-5-17-18(23)6-20(28-21(17)25-7-16)15-4-19(24)22-27-14(3)10-30(22)11-15/h4-7,10-13,26H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyNROLHGLGRLAIIA-CHWSQXEVSA-N
MW424.91 g/mol
LogP4.23
Rot. Bonds2

About 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine

4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine (PubChem CID 170011397) has the molecular formula C22H22ClFN6 and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine
PubChem CID170011397
Molecular FormulaC22H22ClFN6
Molecular Weight424.91 g/mol
Exact Mass424.16
IUPAC Name4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine
SMILESCc1cn2cc(-c3cc(Cl)c4cc(N5C[C@@H](C)N[C@H](C)C5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C22H22ClFN6/c1-12-8-29(9-13(2)26-12)16-5-17-18(23)6-20(28-21(17)25-7-16)15-4-19(24)22-27-14(3)10-30(22)11-15/h4-7,10-13,26H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyNROLHGLGRLAIIA-CHWSQXEVSA-N
XLogP4.23
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine?
The IUPAC name of 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine (CID 170011397) is 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine?
The canonical SMILES for 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine is Cc1cn2cc(-c3cc(Cl)c4cc(N5C[C@@H](C)N[C@H](C)C5)cnc4n3)cc(F)c2n1.
What is the InChIKey of 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine?
The InChIKey is NROLHGLGRLAIIA-CHWSQXEVSA-N. The full InChI is InChI=1S/C22H22ClFN6/c1-12-8-29(9-13(2)26-12)16-5-17-18(23)6-20(28-21(17)25-7-16)15-4-19(24)22-27-14(3)10-30(22)11-15/h4-7,10-13,26H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine?
4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine has a molecular weight of 424.91 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridine is sourced from PubChem (CID 170011397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).