1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine

C34H32Cl2N8O2 — CID 146206847

IUPAC1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CNCc5cn[nH]c5)c(OC)n4)c3Cl)c2Cl)ccc1CNCc1cn[nH]c1
InChIInChI=1S/C34H32Cl2N8O2/c1-45-33-23(19-37-13-21-15-39-40-16-21)9-11-29(43-33)27-7-3-5-25(31(27)35)26-6-4-8-28(32(26)36)30-12-10-24(34(44-30)46-2)20-38-14-22-17-41-42-18-22/h3-12,15-18,37-38H,13-14,19-20H2,1-2H3,(H,39,40)(H,41,42)
InChIKeyZOYBPCTZDGCNLE-UHFFFAOYSA-N
MW655.59 g/mol
LogP6.83
Rot. Bonds13

About 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine

1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 146206847) has the molecular formula C34H32Cl2N8O2 and a molecular weight of 655.59 g/mol. Its IUPAC name is 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID146206847
Molecular FormulaC34H32Cl2N8O2
Molecular Weight655.59 g/mol
Exact Mass654.20
IUPAC Name1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CNCc5cn[nH]c5)c(OC)n4)c3Cl)c2Cl)ccc1CNCc1cn[nH]c1
InChIInChI=1S/C34H32Cl2N8O2/c1-45-33-23(19-37-13-21-15-39-40-16-21)9-11-29(43-33)27-7-3-5-25(31(27)35)26-6-4-8-28(32(26)36)30-12-10-24(34(44-30)46-2)20-38-14-22-17-41-42-18-22/h3-12,15-18,37-38H,13-14,19-20H2,1-2H3,(H,39,40)(H,41,42)
InChIKeyZOYBPCTZDGCNLE-UHFFFAOYSA-N
XLogP6.83
TPSA125.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.59
LogP ≤ 56.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-[2-chloro-3-[2-chloro-3-[5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]-2-methylpropan-1-ol
CID 146207062
(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206736
6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one
CID 146207052
(5R)-5-[[[6-[3-[2-bromo-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206612
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206915
4-[6-[3-[3-[5-[(2-carbamoyloxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]butyl carbamate
CID 161093361
N-[[6-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]oxetan-3-amine
CID 175188897
2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 146250861
4-[2-chloro-6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-4-methyl-3-pyridinyl]butan-1-ol
CID 160806245
6-[[6-[2-chloro-3-[2-chloro-3-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-1,6-diazaspiro[3.3]heptane
CID 146250656
4-[6-[2-chloro-3-[2-chloro-3-[3-chloro-4-[(2-hydroxyethylamino)methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]butan-1-ol
CID 153178144
2-[[6-[3-[3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
CID 146206787

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 146206847) is 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNCc5cn[nH]c5)c(OC)n4)c3Cl)c2Cl)ccc1CNCc1cn[nH]c1.
What is the InChIKey of 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is ZOYBPCTZDGCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N8O2/c1-45-33-23(19-37-13-21-15-39-40-16-21)9-11-29(43-33)27-7-3-5-25(31(27)35)26-6-4-8-28(32(26)36)30-12-10-24(34(44-30)46-2)20-38-14-22-17-41-42-18-22/h3-12,15-18,37-38H,13-14,19-20H2,1-2H3,(H,39,40)(H,41,42).
What are the key properties of 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 655.59 g/mol, XLogP of 6.83, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 146206847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).