1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one

C20H21FN6OS — CID 146272225

IUPAC1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2cc3sc(-c4ccc(N5CC[C@H](F)C5)nc4)nc3cn2)C(=O)C1
InChIInChI=1S/C20H21FN6OS/c1-25-6-7-27(19(28)12-25)18-8-16-15(10-23-18)24-20(29-16)13-2-3-17(22-9-13)26-5-4-14(21)11-26/h2-3,8-10,14H,4-7,11-12H2,1H3/t14-/m0/s1
InChIKeyIEVLNYQCOAIJOJ-AWEZNQCLSA-N
MW412.49 g/mol
LogP2.58
Rot. Bonds3

About 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one

1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one (PubChem CID 146272225) has the molecular formula C20H21FN6OS and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
PubChem CID146272225
Molecular FormulaC20H21FN6OS
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2cc3sc(-c4ccc(N5CC[C@H](F)C5)nc4)nc3cn2)C(=O)C1
InChIInChI=1S/C20H21FN6OS/c1-25-6-7-27(19(28)12-25)18-8-16-15(10-23-18)24-20(29-16)13-2-3-17(22-9-13)26-5-4-14(21)11-26/h2-3,8-10,14H,4-7,11-12H2,1H3/t14-/m0/s1
InChIKeyIEVLNYQCOAIJOJ-AWEZNQCLSA-N
XLogP2.58
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
The IUPAC name of 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) is 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one is CN1CCN(c2cc3sc(-c4ccc(N5CC[C@H](F)C5)nc4)nc3cn2)C(=O)C1.
What is the InChIKey of 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
The InChIKey is IEVLNYQCOAIJOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN6OS/c1-25-6-7-27(19(28)12-25)18-8-16-15(10-23-18)24-20(29-16)13-2-3-17(22-9-13)26-5-4-14(21)11-26/h2-3,8-10,14H,4-7,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one?
1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one has a molecular weight of 412.49 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one is sourced from PubChem (CID 146272225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).