N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide

C20H21F2N5O2 — CID 139387329

IUPACN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4(F)F)CC3)n2n1)C1CC1
InChIInChI=1S/C20H21F2N5O2/c21-20(22)10-14(20)18(29)23-13-8-6-11(7-9-13)15-2-1-3-16-24-19(26-27(15)16)25-17(28)12-4-5-12/h1-3,6,12-14H,4-5,7-10H2,(H,23,29)(H,25,26,28)
InChIKeyQRQOYUNGZSQNMP-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.79
Rot. Bonds5

About N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 139387329) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID139387329
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4(F)F)CC3)n2n1)C1CC1
InChIInChI=1S/C20H21F2N5O2/c21-20(22)10-14(20)18(29)23-13-8-6-11(7-9-13)15-2-1-3-16-24-19(26-27(15)16)25-17(28)12-4-5-12/h1-3,6,12-14H,4-5,7-10H2,(H,23,29)(H,25,26,28)
InChIKeyQRQOYUNGZSQNMP-UHFFFAOYSA-N
XLogP2.79
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 139387329) is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide is O=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4(F)F)CC3)n2n1)C1CC1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is QRQOYUNGZSQNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c21-20(22)10-14(20)18(29)23-13-8-6-11(7-9-13)15-2-1-3-16-24-19(26-27(15)16)25-17(28)12-4-5-12/h1-3,6,12-14H,4-5,7-10H2,(H,23,29)(H,25,26,28).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 139387329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).