N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine

C32H34ClF3N6O2 — CID 170696640

IUPACN-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCNCc1ccc(-c2ccnc(-c3cccc4c3CCC[C@@H]4Nc3nc(OC)c(CNC)cc3C(F)(F)F)c2Cl)nc1OC
InChIInChI=1S/C32H34ClF3N6O2/c1-37-16-18-11-12-26(41-30(18)43-3)23-13-14-39-28(27(23)33)22-9-5-8-21-20(22)7-6-10-25(21)40-29-24(32(34,35)36)15-19(17-38-2)31(42-29)44-4/h5,8-9,11-15,25,37-38H,6-7,10,16-17H2,1-4H3,(H,40,42)/t25-/m0/s1
InChIKeyPCMWMCZZIVCDNP-VWLOTQADSA-N
MW627.11 g/mol
LogP6.82
Rot. Bonds10

About N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine

N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 170696640) has the molecular formula C32H34ClF3N6O2 and a molecular weight of 627.11 g/mol. Its IUPAC name is N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID170696640
Molecular FormulaC32H34ClF3N6O2
Molecular Weight627.11 g/mol
Exact Mass626.24
IUPAC NameN-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCNCc1ccc(-c2ccnc(-c3cccc4c3CCC[C@@H]4Nc3nc(OC)c(CNC)cc3C(F)(F)F)c2Cl)nc1OC
InChIInChI=1S/C32H34ClF3N6O2/c1-37-16-18-11-12-26(41-30(18)43-3)23-13-14-39-28(27(23)33)22-9-5-8-21-20(22)7-6-10-25(21)40-29-24(32(34,35)36)15-19(17-38-2)31(42-29)44-4/h5,8-9,11-15,25,37-38H,6-7,10,16-17H2,1-4H3,(H,40,42)/t25-/m0/s1
InChIKeyPCMWMCZZIVCDNP-VWLOTQADSA-N
XLogP6.82
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.11
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 170696640) is N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine is CNCc1ccc(-c2ccnc(-c3cccc4c3CCC[C@@H]4Nc3nc(OC)c(CNC)cc3C(F)(F)F)c2Cl)nc1OC.
What is the InChIKey of N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PCMWMCZZIVCDNP-VWLOTQADSA-N. The full InChI is InChI=1S/C32H34ClF3N6O2/c1-37-16-18-11-12-26(41-30(18)43-3)23-13-14-39-28(27(23)33)22-9-5-8-21-20(22)7-6-10-25(21)40-29-24(32(34,35)36)15-19(17-38-2)31(42-29)44-4/h5,8-9,11-15,25,37-38H,6-7,10,16-17H2,1-4H3,(H,40,42)/t25-/m0/s1.
What are the key properties of N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 627.11 g/mol, XLogP of 6.82, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 170696640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).