N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C22H18ClFN6O — CID 135344456

IUPACN-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc(C2CC2C(=O)Nc2cc3cc(-c4c(F)cccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/C22H18ClFN6O/c1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24/h2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31)
InChIKeyFQPLGQZROUJXDM-UHFFFAOYSA-N
MW436.88 g/mol
LogP4.15
Rot. Bonds4

About N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344456) has the molecular formula C22H18ClFN6O and a molecular weight of 436.88 g/mol. Its IUPAC name is N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344456
Molecular FormulaC22H18ClFN6O
Molecular Weight436.88 g/mol
Exact Mass436.12
IUPAC NameN-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc(C2CC2C(=O)Nc2cc3cc(-c4c(F)cccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/C22H18ClFN6O/c1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24/h2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31)
InChIKeyFQPLGQZROUJXDM-UHFFFAOYSA-N
XLogP4.15
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344456) is N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc(C2CC2C(=O)Nc2cc3cc(-c4c(F)cccc4Cl)nc(N)c3cn2)cn1.
What is the InChIKey of N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FQPLGQZROUJXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6O/c1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24/h2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31).
What are the key properties of N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 436.88 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).