(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone

C18H18F3N5O — CID 92566215

IUPAC(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1
InChIInChI=1S/C18H18F3N5O/c1-25-15(4-7-22-25)17(27)26-8-5-11(6-9-26)13-10-14-12(23-13)2-3-16(24-14)18(19,20)21/h2-4,7,10-11,23H,5-6,8-9H2,1H3
InChIKeyYIGPLHQBXIMFPF-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.34
Rot. Bonds2

About (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone (PubChem CID 92566215) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
PubChem CID92566215
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1
InChIInChI=1S/C18H18F3N5O/c1-25-15(4-7-22-25)17(27)26-8-5-11(6-9-26)13-10-14-12(23-13)2-3-16(24-14)18(19,20)21/h2-4,7,10-11,23H,5-6,8-9H2,1H3
InChIKeyYIGPLHQBXIMFPF-UHFFFAOYSA-N
XLogP3.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone (CID 92566215) is (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?
The InChIKey is YIGPLHQBXIMFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-25-15(4-7-22-25)17(27)26-8-5-11(6-9-26)13-10-14-12(23-13)2-3-16(24-14)18(19,20)21/h2-4,7,10-11,23H,5-6,8-9H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone has a molecular weight of 377.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92566215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).