trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C25H25Cl2N7O2 — CID 135344812

IUPACtrans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESNCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/C25H25Cl2N7O2/c26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/h1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t16-,17+/m0/s1
InChIKeyUFWXYIHXZWRINO-DLBZAZTESA-N
MW526.43 g/mol
LogP4.10
Rot. Bonds9

About trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 135344812) has the molecular formula C25H25Cl2N7O2 and a molecular weight of 526.43 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID135344812
Molecular FormulaC25H25Cl2N7O2
Molecular Weight526.43 g/mol
Exact Mass525.14
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESNCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/C25H25Cl2N7O2/c26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/h1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t16-,17+/m0/s1
InChIKeyUFWXYIHXZWRINO-DLBZAZTESA-N
XLogP4.10
TPSA133.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.43
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 135344812) is trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide is NCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is UFWXYIHXZWRINO-DLBZAZTESA-N. The full InChI is InChI=1S/C25H25Cl2N7O2/c26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/h1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 526.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135344812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).