(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride

C40H47Cl7N8 — CID 158985492

IUPAC(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride
SMILESC[C@@H](N[C@@H]1CCN(c2nccnc2Cl)C1)c1cccc2ccccc12.C[C@@H](N[C@@H]1CCNC1)c1cccc2ccccc12.Cl.Cl.Cl.Cl.Clc1nccnc1Cl
InChIInChI=1S/C20H21ClN4.C16H20N2.C4H2Cl2N2.4ClH/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-16-9-12-25(13-16)20-19(21)22-10-11-23-20;1-12(18-14-9-10-17-11-14)15-8-4-6-13-5-2-3-7-16(13)15;5-3-4(6)8-2-1-7-3;;;;/h2-8,10-11,14,16,24H,9,12-13H2,1H3;2-8,12,14,17-18H,9-11H2,1H3;1-2H;4*1H/t14-,16-;12-,14-;;;;;/m11...../s1
InChIKeyGGKBYBHAQHTKCK-AORJZNTASA-N
MW888.04 g/mol
LogP10.54
Rot. Bonds7

About (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride

(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride (PubChem CID 158985492) has the molecular formula C40H47Cl7N8 and a molecular weight of 888.04 g/mol. Its IUPAC name is (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride.

Molecular Properties

Compound Name(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride
PubChem CID158985492
Molecular FormulaC40H47Cl7N8
Molecular Weight888.04 g/mol
Exact Mass884.17
IUPAC Name(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride
SMILESC[C@@H](N[C@@H]1CCN(c2nccnc2Cl)C1)c1cccc2ccccc12.C[C@@H](N[C@@H]1CCNC1)c1cccc2ccccc12.Cl.Cl.Cl.Cl.Clc1nccnc1Cl
InChIInChI=1S/C20H21ClN4.C16H20N2.C4H2Cl2N2.4ClH/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-16-9-12-25(13-16)20-19(21)22-10-11-23-20;1-12(18-14-9-10-17-11-14)15-8-4-6-13-5-2-3-7-16(13)15;5-3-4(6)8-2-1-7-3;;;;/h2-8,10-11,14,16,24H,9,12-13H2,1H3;2-8,12,14,17-18H,9-11H2,1H3;1-2H;4*1H/t14-,16-;12-,14-;;;;;/m11...../s1
InChIKeyGGKBYBHAQHTKCK-AORJZNTASA-N
XLogP10.54
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.04
LogP ≤ 510.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride?
The IUPAC name of (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride (CID 158985492) is (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride.
What is the SMILES notation for (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride?
The canonical SMILES for (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride is C[C@@H](N[C@@H]1CCN(c2nccnc2Cl)C1)c1cccc2ccccc12.C[C@@H](N[C@@H]1CCNC1)c1cccc2ccccc12.Cl.Cl.Cl.Cl.Clc1nccnc1Cl.
What is the InChIKey of (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride?
The InChIKey is GGKBYBHAQHTKCK-AORJZNTASA-N. The full InChI is InChI=1S/C20H21ClN4.C16H20N2.C4H2Cl2N2.4ClH/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-16-9-12-25(13-16)20-19(21)22-10-11-23-20;1-12(18-14-9-10-17-11-14)15-8-4-6-13-5-2-3-7-16(13)15;5-3-4(6)8-2-1-7-3;;;;/h2-8,10-11,14,16,24H,9,12-13H2,1H3;2-8,12,14,17-18H,9-11H2,1H3;1-2H;4*1H/t14-,16-;12-,14-;;;;;/m11...../s1.
What are the key properties of (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride?
(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride has a molecular weight of 888.04 g/mol, XLogP of 10.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride is sourced from PubChem (CID 158985492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).