N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide

C18H19F3N6O2 — CID 136954220

IUPACN-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2cc3nc(C(F)(F)F)ccc3[nH]2)n[nH]1
InChIInChI=1S/C18H19F3N6O2/c19-18(20,21)16-2-1-11-12(24-16)9-13(23-11)14-10-15(26-25-14)17(28)22-3-4-27-5-7-29-8-6-27/h1-2,9-10,23H,3-8H2,(H,22,28)(H,25,26)
InChIKeyKPDMOPOEXVPYAO-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.03
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide

N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 136954220) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID136954220
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC NameN-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2cc3nc(C(F)(F)F)ccc3[nH]2)n[nH]1
InChIInChI=1S/C18H19F3N6O2/c19-18(20,21)16-2-1-11-12(24-16)9-13(23-11)14-10-15(26-25-14)17(28)22-3-4-27-5-7-29-8-6-27/h1-2,9-10,23H,3-8H2,(H,22,28)(H,25,26)
InChIKeyKPDMOPOEXVPYAO-UHFFFAOYSA-N
XLogP2.03
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide (CID 136954220) is N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2cc3nc(C(F)(F)F)ccc3[nH]2)n[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is KPDMOPOEXVPYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c19-18(20,21)16-2-1-11-12(24-16)9-13(23-11)14-10-15(26-25-14)17(28)22-3-4-27-5-7-29-8-6-27/h1-2,9-10,23H,3-8H2,(H,22,28)(H,25,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide?
N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136954220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).