(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide

C39H41N5O6 — CID 135344824

IUPAC(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(-c3cnccc3C)cc3cc(NC(=O)C4[C@H]5CC(O)C[C@@H]45)ncc23)c(OC)c1
InChIInChI=1S/C39H41N5O6/c1-22-10-11-40-18-31(22)33-12-25-13-36(43-39(46)37-29-14-26(45)15-30(29)37)41-19-32(25)38(42-33)44(20-23-6-8-27(47-2)16-34(23)49-4)21-24-7-9-28(48-3)17-35(24)50-5/h6-13,16-19,26,29-30,37,45H,14-15,20-21H2,1-5H3,(H,41,43,46)/t26?,29-,30+,37?
InChIKeyYGKOGZDBQKNUDH-XQHZNOLBSA-N
MW675.79 g/mol
LogP6.20
Rot. Bonds12

About (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 135344824) has the molecular formula C39H41N5O6 and a molecular weight of 675.79 g/mol. Its IUPAC name is (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide
PubChem CID135344824
Molecular FormulaC39H41N5O6
Molecular Weight675.79 g/mol
Exact Mass675.31
IUPAC Name(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(-c3cnccc3C)cc3cc(NC(=O)C4[C@H]5CC(O)C[C@@H]45)ncc23)c(OC)c1
InChIInChI=1S/C39H41N5O6/c1-22-10-11-40-18-31(22)33-12-25-13-36(43-39(46)37-29-14-26(45)15-30(29)37)41-19-32(25)38(42-33)44(20-23-6-8-27(47-2)16-34(23)49-4)21-24-7-9-28(48-3)17-35(24)50-5/h6-13,16-19,26,29-30,37,45H,14-15,20-21H2,1-5H3,(H,41,43,46)/t26?,29-,30+,37?
InChIKeyYGKOGZDBQKNUDH-XQHZNOLBSA-N
XLogP6.20
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(phenylmethoxymethyl)cyclopropane-1-carboxamide
CID 135344436
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
CID 135345298
tert-butyl N-[2-[2-[4-[(1S,2S)-2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]pyrazol-1-yl]ethoxy]ethyl]carbamate
CID 135344674
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
CID 135344339
3-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 135345092
N-[8-amino-7-chloro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide
CID 135342760
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-chloro-2,7-naphthyridin-3-yl]-2-cyanobicyclo[3.1.0]hexane-6-carboxamide
CID 135344496
tert-butyl 4-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-hydroxyamino]phenyl]-3-oxopiperazine-1-carboxylate
CID 135345110
1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 135344957
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide
CID 135344338
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 135345270

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide (CID 135344824) is (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(-c3cnccc3C)cc3cc(NC(=O)C4[C@H]5CC(O)C[C@@H]45)ncc23)c(OC)c1.
What is the InChIKey of (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is YGKOGZDBQKNUDH-XQHZNOLBSA-N. The full InChI is InChI=1S/C39H41N5O6/c1-22-10-11-40-18-31(22)33-12-25-13-36(43-39(46)37-29-14-26(45)15-30(29)37)41-19-32(25)38(42-33)44(20-23-6-8-27(47-2)16-34(23)49-4)21-24-7-9-28(48-3)17-35(24)50-5/h6-13,16-19,26,29-30,37,45H,14-15,20-21H2,1-5H3,(H,41,43,46)/t26?,29-,30+,37?.
What are the key properties of (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 675.79 g/mol, XLogP of 6.20, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 135344824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).