trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C50H52N12O4 — CID 157344741

IUPACtrans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOCc1cccc(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.COCc1cccc(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/2C25H26N6O2/c2*1-14-5-4-6-15(13-33-3)23(14)21-7-16-8-22(27-11-20(16)24(26)29-21)30-25(32)19-9-18(19)17-10-28-31(2)12-17/h2*4-8,10-12,18-19H,9,13H2,1-3H3,(H2,26,29)(H,27,30,32)/t2*18-,19+/m10/s1
InChIKeyBGUYARDNVWCNJV-DDYVOGIASA-N
MW885.05 g/mol
LogP7.62
Rot. Bonds12

About trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157344741) has the molecular formula C50H52N12O4 and a molecular weight of 885.05 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID157344741
Molecular FormulaC50H52N12O4
Molecular Weight885.05 g/mol
Exact Mass884.42
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOCc1cccc(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.COCc1cccc(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/2C25H26N6O2/c2*1-14-5-4-6-15(13-33-3)23(14)21-7-16-8-22(27-11-20(16)24(26)29-21)30-25(32)19-9-18(19)17-10-28-31(2)12-17/h2*4-8,10-12,18-19H,9,13H2,1-3H3,(H2,26,29)(H,27,30,32)/t2*18-,19+/m10/s1
InChIKeyBGUYARDNVWCNJV-DDYVOGIASA-N
XLogP7.62
TPSA215.90 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.05
LogP ≤ 57.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 157344741) is trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COCc1cccc(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.COCc1cccc(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is BGUYARDNVWCNJV-DDYVOGIASA-N. The full InChI is InChI=1S/2C25H26N6O2/c2*1-14-5-4-6-15(13-33-3)23(14)21-7-16-8-22(27-11-20(16)24(26)29-21)30-25(32)19-9-18(19)17-10-28-31(2)12-17/h2*4-8,10-12,18-19H,9,13H2,1-3H3,(H2,26,29)(H,27,30,32)/t2*18-,19+/m10/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 885.05 g/mol, XLogP of 7.62, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157344741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).