N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine

C27H24Cl2N4 — CID 71199842

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
SMILESClc1ccc(-c2ncc(N[C@@H]3CCN(Cc4ccccc4)C3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24Cl2N4/c28-22-10-6-20(7-11-22)26-27(21-8-12-23(29)13-9-21)32-25(16-30-26)31-24-14-15-33(18-24)17-19-4-2-1-3-5-19/h1-13,16,24H,14-15,17-18H2,(H,31,32)/t24-/m1/s1
InChIKeyPAUYCYOOPYJBAY-XMMPIXPASA-N
MW475.42 g/mol
LogP6.80
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine

N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine (PubChem CID 71199842) has the molecular formula C27H24Cl2N4 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
PubChem CID71199842
Molecular FormulaC27H24Cl2N4
Molecular Weight475.42 g/mol
Exact Mass474.14
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
SMILESClc1ccc(-c2ncc(N[C@@H]3CCN(Cc4ccccc4)C3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24Cl2N4/c28-22-10-6-20(7-11-22)26-27(21-8-12-23(29)13-9-21)32-25(16-30-26)31-24-14-15-33(18-24)17-19-4-2-1-3-5-19/h1-13,16,24H,14-15,17-18H2,(H,31,32)/t24-/m1/s1
InChIKeyPAUYCYOOPYJBAY-XMMPIXPASA-N
XLogP6.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol
CID 137154175
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95719332
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
N-[(5-chloro-2-pyridinyl)sulfanyl]-1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 144961575
5,6-bis(4-chlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazin-2-amine
CID 71200235
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
1-benzyl-4-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-1,4-diazepane
CID 143313316

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine (CID 71199842) is N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine is Clc1ccc(-c2ncc(N[C@@H]3CCN(Cc4ccccc4)C3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine?
The InChIKey is PAUYCYOOPYJBAY-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24Cl2N4/c28-22-10-6-20(7-11-22)26-27(21-8-12-23(29)13-9-21)32-25(16-30-26)31-24-14-15-33(18-24)17-19-4-2-1-3-5-19/h1-13,16,24H,14-15,17-18H2,(H,31,32)/t24-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine?
N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine has a molecular weight of 475.42 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 71199842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).