[4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C30H33Cl2N5O — CID 46907265

IUPAC[4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)CCN3)cc1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C30H33Cl2N5O/c31-26-6-3-7-27(32)25(26)20-36-16-12-33-29-28(36)17-23(18-34-29)21-8-10-22(11-9-21)30(38)37-15-4-5-24(37)19-35-13-1-2-14-35/h3,6-11,17-18,24H,1-2,4-5,12-16,19-20H2,(H,33,34)/t24-/m0/s1
InChIKeyUBZXFTVYCQWOSJ-DEOSSOPVSA-N
MW550.53 g/mol
LogP6.19
Rot. Bonds6

About [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 46907265) has the molecular formula C30H33Cl2N5O and a molecular weight of 550.53 g/mol. Its IUPAC name is [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID46907265
Molecular FormulaC30H33Cl2N5O
Molecular Weight550.53 g/mol
Exact Mass549.21
IUPAC Name[4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)CCN3)cc1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C30H33Cl2N5O/c31-26-6-3-7-27(32)25(26)20-36-16-12-33-29-28(36)17-23(18-34-29)21-8-10-22(11-9-21)30(38)37-15-4-5-24(37)19-35-13-1-2-14-35/h3,6-11,17-18,24H,1-2,4-5,12-16,19-20H2,(H,33,34)/t24-/m0/s1
InChIKeyUBZXFTVYCQWOSJ-DEOSSOPVSA-N
XLogP6.19
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.53
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 46907265) is [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)CCN3)cc1)N1CCC[C@H]1CN1CCCC1.
What is the InChIKey of [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UBZXFTVYCQWOSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H33Cl2N5O/c31-26-6-3-7-27(32)25(26)20-36-16-12-33-29-28(36)17-23(18-34-29)21-8-10-22(11-9-21)30(38)37-15-4-5-24(37)19-35-13-1-2-14-35/h3,6-11,17-18,24H,1-2,4-5,12-16,19-20H2,(H,33,34)/t24-/m0/s1.
What are the key properties of [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 550.53 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46907265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).