1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine

C23H27FN6OS — CID 172595458

IUPAC1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
SMILESF[C@@H]1CCN(c2ccc(-c3nc4ncc(N5CCC(NC6COC6)CC5)cc4s3)cn2)C1
InChIInChI=1S/C23H27FN6OS/c24-16-3-6-30(12-16)21-2-1-15(10-25-21)23-28-22-20(32-23)9-19(11-26-22)29-7-4-17(5-8-29)27-18-13-31-14-18/h1-2,9-11,16-18,27H,3-8,12-14H2/t16-/m1/s1
InChIKeyWLJACGDWDPNQFD-MRXNPFEDSA-N
MW454.58 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine

1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine (PubChem CID 172595458) has the molecular formula C23H27FN6OS and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
PubChem CID172595458
Molecular FormulaC23H27FN6OS
Molecular Weight454.58 g/mol
Exact Mass454.20
IUPAC Name1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
SMILESF[C@@H]1CCN(c2ccc(-c3nc4ncc(N5CCC(NC6COC6)CC5)cc4s3)cn2)C1
InChIInChI=1S/C23H27FN6OS/c24-16-3-6-30(12-16)21-2-1-15(10-25-21)23-28-22-20(32-23)9-19(11-26-22)29-7-4-17(5-8-29)27-18-13-31-14-18/h1-2,9-11,16-18,27H,3-8,12-14H2/t16-/m1/s1
InChIKeyWLJACGDWDPNQFD-MRXNPFEDSA-N
XLogP3.26
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine with MolForge

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Related Compounds

1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362
1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
6-(dimethylamino)-1-[4-[2-[4-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]hexan-1-one
CID 177148853
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
CID 171545627
2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24758106
6-chloro-2-(6-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine;(3R)-1-[5-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
CID 159798365
6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
CID 158969023
2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole
CID 146420544
potassium;5-chloro-2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;1H-imidazole;2-methylpropan-2-olate
CID 159717497
(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 166475099
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
CID 172915744
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine?
The IUPAC name of 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine (CID 172595458) is 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine is F[C@@H]1CCN(c2ccc(-c3nc4ncc(N5CCC(NC6COC6)CC5)cc4s3)cn2)C1.
What is the InChIKey of 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine?
The InChIKey is WLJACGDWDPNQFD-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27FN6OS/c24-16-3-6-30(12-16)21-2-1-15(10-25-21)23-28-22-20(32-23)9-19(11-26-22)29-7-4-17(5-8-29)27-18-13-31-14-18/h1-2,9-11,16-18,27H,3-8,12-14H2/t16-/m1/s1.
What are the key properties of 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine?
1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine has a molecular weight of 454.58 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine is sourced from PubChem (CID 172595458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).