N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C21H21F2N5O2 — CID 170577228

IUPACN-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1cc(C2COC2)cc(C(C)(F)F)n1
InChIInChI=1S/C21H21F2N5O2/c1-11(29)25-18-7-16-15(8-24-18)20(12-3-4-12)27-28(16)19-6-13(14-9-30-10-14)5-17(26-19)21(2,22)23/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,24,25,29)
InChIKeyOOSQIEWFJBNLSK-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.88
Rot. Bonds5

About N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577228) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577228
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1cc(C2COC2)cc(C(C)(F)F)n1
InChIInChI=1S/C21H21F2N5O2/c1-11(29)25-18-7-16-15(8-24-18)20(12-3-4-12)27-28(16)19-6-13(14-9-30-10-14)5-17(26-19)21(2,22)23/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,24,25,29)
InChIKeyOOSQIEWFJBNLSK-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577228) is N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1cc(C2COC2)cc(C(C)(F)F)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is OOSQIEWFJBNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c1-11(29)25-18-7-16-15(8-24-18)20(12-3-4-12)27-28(16)19-6-13(14-9-30-10-14)5-17(26-19)21(2,22)23/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,24,25,29).
What are the key properties of N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 413.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).