(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone

C23H29ClFN5O — CID 118159276

IUPAC(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone
SMILESCC(C)Nc1nc2c(nc1N1CCC(C(=O)c3cc(Cl)ccc3F)CC1)CN(C)CC2
InChIInChI=1S/C23H29ClFN5O/c1-14(2)26-22-23(28-20-13-29(3)9-8-19(20)27-22)30-10-6-15(7-11-30)21(31)17-12-16(24)4-5-18(17)25/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,26,27)
InChIKeyRKEKPUMPMWDOCH-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.18
Rot. Bonds5

About (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone

(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone (PubChem CID 118159276) has the molecular formula C23H29ClFN5O and a molecular weight of 445.97 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone
PubChem CID118159276
Molecular FormulaC23H29ClFN5O
Molecular Weight445.97 g/mol
Exact Mass445.20
IUPAC Name(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone
SMILESCC(C)Nc1nc2c(nc1N1CCC(C(=O)c3cc(Cl)ccc3F)CC1)CN(C)CC2
InChIInChI=1S/C23H29ClFN5O/c1-14(2)26-22-23(28-20-13-29(3)9-8-19(20)27-22)30-10-6-15(7-11-30)21(31)17-12-16(24)4-5-18(17)25/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,26,27)
InChIKeyRKEKPUMPMWDOCH-UHFFFAOYSA-N
XLogP4.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-[6-benzyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]-(5-chloro-2-fluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 131734002
6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 118309464
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxylic acid
CID 135340759
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;hydrochloride
CID 155520163
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155551686
N-cyclopropyl-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 155569033
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
1-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 170793677
[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanesulfinate
CID 137350926
6-benzyl-2-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
CID 118159397
6-benzyl-3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159184
1-[3-(butan-2-ylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 118159202

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone (CID 118159276) is (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone is CC(C)Nc1nc2c(nc1N1CCC(C(=O)c3cc(Cl)ccc3F)CC1)CN(C)CC2.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is RKEKPUMPMWDOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFN5O/c1-14(2)26-22-23(28-20-13-29(3)9-8-19(20)27-22)30-10-6-15(7-11-30)21(31)17-12-16(24)4-5-18(17)25/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,26,27).
What are the key properties of (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone?
(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 445.97 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 118159276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).