N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide

C20H23F2N5O3 — CID 90119549

IUPACN-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)ncc1OCC(C)(F)F
InChIInChI=1S/C20H23F2N5O3/c1-12-7-13(24-8-16(12)30-11-20(4,21)22)9-27-10-14-15(26-27)5-6-23-17(14)25-18(28)19(2,3)29/h5-8,10,29H,9,11H2,1-4H3,(H,23,25,28)
InChIKeyLMIHTWSDCBFVCL-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide

N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 90119549) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
PubChem CID90119549
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC NameN-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)ncc1OCC(C)(F)F
InChIInChI=1S/C20H23F2N5O3/c1-12-7-13(24-8-16(12)30-11-20(4,21)22)9-27-10-14-15(26-27)5-6-23-17(14)25-18(28)19(2,3)29/h5-8,10,29H,9,11H2,1-4H3,(H,23,25,28)
InChIKeyLMIHTWSDCBFVCL-UHFFFAOYSA-N
XLogP2.93
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (CID 90119549) is N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is Cc1cc(Cn2cc3c(NC(=O)C(C)(C)O)nccc3n2)ncc1OCC(C)(F)F.
What is the InChIKey of N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is LMIHTWSDCBFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-12-7-13(24-8-16(12)30-11-20(4,21)22)9-27-10-14-15(26-27)5-6-23-17(14)25-18(28)19(2,3)29/h5-8,10,29H,9,11H2,1-4H3,(H,23,25,28).
What are the key properties of N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?
N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 419.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 90119549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).