trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide

C22H31N5O — CID 166289019

IUPACtrans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide
SMILESCC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C22H31N5O/c1-15(2)14-27-20(9-12-25-27)18-13-19(18)22(28)24-11-4-6-17-8-7-16-5-3-10-23-21(16)26-17/h7-9,12,15,18-19H,3-6,10-11,13-14H2,1-2H3,(H,23,26)(H,24,28)/t18-,19-/m1/s1
InChIKeyJCWFZVFMHDKMJH-RTBURBONSA-N
MW381.52 g/mol
LogP3.14
Rot. Bonds8

About trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 166289019) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide
PubChem CID166289019
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Nametrans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide
SMILESCC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C22H31N5O/c1-15(2)14-27-20(9-12-25-27)18-13-19(18)22(28)24-11-4-6-17-8-7-16-5-3-10-23-21(16)26-17/h7-9,12,15,18-19H,3-6,10-11,13-14H2,1-2H3,(H,23,26)(H,24,28)/t18-,19-/m1/s1
InChIKeyJCWFZVFMHDKMJH-RTBURBONSA-N
XLogP3.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoic acid
CID 142419026
5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
CID 166295535
2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433
(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157493143
ethyl 2-phenyl-2-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetate
CID 135312363
2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317929
fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate
CID 142419000
2-phenyl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperazin-1-yl]acetic acid
CID 135312593
2-acetamido-2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317489
1-(cyclopropylmethyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590224
2-[2-(propylamino)phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
CID 151550952
2-[2-(ethylcarbamoyl)phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
CID 146607897

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide (CID 166289019) is trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide is CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is JCWFZVFMHDKMJH-RTBURBONSA-N. The full InChI is InChI=1S/C22H31N5O/c1-15(2)14-27-20(9-12-25-27)18-13-19(18)22(28)24-11-4-6-17-8-7-16-5-3-10-23-21(16)26-17/h7-9,12,15,18-19H,3-6,10-11,13-14H2,1-2H3,(H,23,26)(H,24,28)/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166289019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).