4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C19H19F3N6O — CID 59291940

IUPAC4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)11-1-2-15(25-9-11)28-7-4-12(5-8-28)27-16-13-3-6-24-18(13)26-10-14(16)17(23)29/h1-3,6,9-10,12H,4-5,7-8H2,(H2,23,29)(H2,24,26,27)
InChIKeySYDXMTSYXQKSPL-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.16
Rot. Bonds4

About 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 59291940) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID59291940
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)11-1-2-15(25-9-11)28-7-4-12(5-8-28)27-16-13-3-6-24-18(13)26-10-14(16)17(23)29/h1-3,6,9-10,12H,4-5,7-8H2,(H2,23,29)(H2,24,26,27)
InChIKeySYDXMTSYXQKSPL-UHFFFAOYSA-N
XLogP3.16
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 59291940) is 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is SYDXMTSYXQKSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)11-1-2-15(25-9-11)28-7-4-12(5-8-28)27-16-13-3-6-24-18(13)26-10-14(16)17(23)29/h1-3,6,9-10,12H,4-5,7-8H2,(H2,23,29)(H2,24,26,27).
What are the key properties of 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59291940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).