N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide

C19H15F2N5O2 — CID 162444765

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccn(CCOc2cccnc2)n1
InChIInChI=1S/C19H15F2N5O2/c20-14-8-13-17(9-15(14)21)23-11-18(13)24-19(27)16-3-5-26(25-16)6-7-28-12-2-1-4-22-10-12/h1-5,8-11,23H,6-7H2,(H,24,27)
InChIKeyRUTMFTZOGBTCNK-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.37
Rot. Bonds6

About N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide (PubChem CID 162444765) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
PubChem CID162444765
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccn(CCOc2cccnc2)n1
InChIInChI=1S/C19H15F2N5O2/c20-14-8-13-17(9-15(14)21)23-11-18(13)24-19(27)16-3-5-26(25-16)6-7-28-12-2-1-4-22-10-12/h1-5,8-11,23H,6-7H2,(H,24,27)
InChIKeyRUTMFTZOGBTCNK-UHFFFAOYSA-N
XLogP3.37
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide (CID 162444765) is N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccn(CCOc2cccnc2)n1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
The InChIKey is RUTMFTZOGBTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c20-14-8-13-17(9-15(14)21)23-11-18(13)24-19(27)16-3-5-26(25-16)6-7-28-12-2-1-4-22-10-12/h1-5,8-11,23H,6-7H2,(H,24,27).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 162444765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).