4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

C14H18F2N4O3 — CID 166273794

IUPAC4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCC2NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O3/c15-14(16)3-6-19(7-4-14)13(23)17-9-2-1-5-20-11(9)8-10(18-20)12(21)22/h8-9H,1-7H2,(H,17,23)(H,21,22)
InChIKeyKVPVBWMHSRZTJP-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.86
Rot. Bonds2

About 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 166273794) has the molecular formula C14H18F2N4O3 and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID166273794
Molecular FormulaC14H18F2N4O3
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCC2NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O3/c15-14(16)3-6-19(7-4-14)13(23)17-9-2-1-5-20-11(9)8-10(18-20)12(21)22/h8-9H,1-7H2,(H,17,23)(H,21,22)
InChIKeyKVPVBWMHSRZTJP-UHFFFAOYSA-N
XLogP1.86
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 165457908
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
4-(diethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476081
methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
CID 119099129
4-[ethyl(methyl)amino]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476083
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylurea
CID 146082295
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
CID 146126199
3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
CID 136513343
2-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150483656
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 166273794) is 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCCC2NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is KVPVBWMHSRZTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O3/c15-14(16)3-6-19(7-4-14)13(23)17-9-2-1-5-20-11(9)8-10(18-20)12(21)22/h8-9H,1-7H2,(H,17,23)(H,21,22).
What are the key properties of 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 166273794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).