[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone

C20H26F3N5O2 — CID 92631759

IUPAC[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
SMILESCC(C)Nc1n[nH]c2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H26F3N5O2/c1-11(2)24-17-16-13(20(21,22)23)10-14(25-18(16)27-26-17)12-5-7-28(8-6-12)19(29)15-4-3-9-30-15/h10-12,15H,3-9H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1
InChIKeyWYDDTLPQVWQRCD-OAHLLOKOSA-N
MW425.46 g/mol
LogP3.68
Rot. Bonds4

About [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone (PubChem CID 92631759) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
PubChem CID92631759
Molecular FormulaC20H26F3N5O2
Molecular Weight425.46 g/mol
Exact Mass425.20
IUPAC Name[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
SMILESCC(C)Nc1n[nH]c2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H26F3N5O2/c1-11(2)24-17-16-13(20(21,22)23)10-14(25-18(16)27-26-17)12-5-7-28(8-6-12)19(29)15-4-3-9-30-15/h10-12,15H,3-9H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1
InChIKeyWYDDTLPQVWQRCD-OAHLLOKOSA-N
XLogP3.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631662
cyclohexyl-[(2S)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
CID 92630733
6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 95804103
1-[(2R)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 92630664
oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 46954977
cyclopropyl-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599471
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110217761
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92599666

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone (CID 92631759) is [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone is CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
The InChIKey is WYDDTLPQVWQRCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26F3N5O2/c1-11(2)24-17-16-13(20(21,22)23)10-14(25-18(16)27-26-17)12-5-7-28(8-6-12)19(29)15-4-3-9-30-15/h10-12,15H,3-9H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone has a molecular weight of 425.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92631759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).