4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide

C21H21F2N5O3 — CID 142526535

IUPAC4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(-c3c(C(F)F)cnn3C3CCCCO3)nc2)ccn1
InChIInChI=1S/C21H21F2N5O3/c22-20(23)15-11-27-28(18-3-1-2-8-30-18)19(15)16-5-4-14(10-26-16)31-12-13-6-7-25-17(9-13)21(24)29/h4-7,9-11,18,20H,1-3,8,12H2,(H2,24,29)
InChIKeyMFBTUTBBEFOZJQ-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.65
Rot. Bonds7

About 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide

4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide (PubChem CID 142526535) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
PubChem CID142526535
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(-c3c(C(F)F)cnn3C3CCCCO3)nc2)ccn1
InChIInChI=1S/C21H21F2N5O3/c22-20(23)15-11-27-28(18-3-1-2-8-30-18)19(15)16-5-4-14(10-26-16)31-12-13-6-7-25-17(9-13)21(24)29/h4-7,9-11,18,20H,1-3,8,12H2,(H2,24,29)
InChIKeyMFBTUTBBEFOZJQ-UHFFFAOYSA-N
XLogP3.65
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide (CID 142526535) is 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc(-c3c(C(F)F)cnn3C3CCCCO3)nc2)ccn1.
What is the InChIKey of 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is MFBTUTBBEFOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c22-20(23)15-11-27-28(18-3-1-2-8-30-18)19(15)16-5-4-14(10-26-16)31-12-13-6-7-25-17(9-13)21(24)29/h4-7,9-11,18,20H,1-3,8,12H2,(H2,24,29).
What are the key properties of 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(difluoromethyl)-1-(oxan-2-yl)pyrazol-5-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 142526535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).