N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide

C20H21F2N5O3 — CID 163377403

IUPACN-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCO[C@]1(c2cc(C(F)F)cc(-n3nc(C)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C20H21F2N5O3/c1-11-14-9-23-17(24-12(2)28)8-15(14)27(26-11)18-7-13(19(21)22)6-16(25-18)20(29-3)4-5-30-10-20/h6-9,19H,4-5,10H2,1-3H3,(H,23,24,28)/t20-/m1/s1
InChIKeyMKIFUWPFRPGTDX-HXUWFJFHSA-N
MW417.42 g/mol
LogP3.28
Rot. Bonds5

About N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 163377403) has the molecular formula C20H21F2N5O3 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID163377403
Molecular FormulaC20H21F2N5O3
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC NameN-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCO[C@]1(c2cc(C(F)F)cc(-n3nc(C)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C20H21F2N5O3/c1-11-14-9-23-17(24-12(2)28)8-15(14)27(26-11)18-7-13(19(21)22)6-16(25-18)20(29-3)4-5-30-10-20/h6-9,19H,4-5,10H2,1-3H3,(H,23,24,28)/t20-/m1/s1
InChIKeyMKIFUWPFRPGTDX-HXUWFJFHSA-N
XLogP3.28
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[(1,1-dioxothietan-3-yl)methoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 172841739
[1-[4-[(2R)-2-hydroxypropoxy]-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 163377553
[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178025
[1-[4-(2-methoxyethoxy)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178026
[1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 172722766
N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170425124
N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282193
N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577665
1-[4-methoxy-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3,6-dimethylpyrazolo[4,5-c]pyridine
CID 170577712
[3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea
CID 163377480
N-[1-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl]acetamide
CID 163261755
[1-[6-(3-methoxyoxolan-3-yl)-4-(4-phenylmethoxypiperidin-1-yl)-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 175723137

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 163377403) is N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide is CO[C@]1(c2cc(C(F)F)cc(-n3nc(C)c4cnc(NC(C)=O)cc43)n2)CCOC1.
What is the InChIKey of N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is MKIFUWPFRPGTDX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21F2N5O3/c1-11-14-9-23-17(24-12(2)28)8-15(14)27(26-11)18-7-13(19(21)22)6-16(25-18)20(29-3)4-5-30-10-20/h6-9,19H,4-5,10H2,1-3H3,(H,23,24,28)/t20-/m1/s1.
What are the key properties of N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 417.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 163377403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).