2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

C25H26FN9S — CID 170726104

IUPAC2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCN1C[C@@H]2C[C@H]1CN2c1nccc(Nc2cc3nc(-c4ccnc(N5CC[C@@H](F)C5)c4)sc3cn2)n1
InChIInChI=1S/C25H26FN9S/c1-33-13-18-9-17(33)14-35(18)25-28-6-3-21(32-25)31-22-10-19-20(11-29-22)36-24(30-19)15-2-5-27-23(8-15)34-7-4-16(26)12-34/h2-3,5-6,8,10-11,16-18H,4,7,9,12-14H2,1H3,(H,28,29,31,32)/t16-,17+,18+/m1/s1
InChIKeyNYGISUVOOGMUOG-SQNIBIBYSA-N
MW503.61 g/mol
LogP3.73
Rot. Bonds5

About 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170726104) has the molecular formula C25H26FN9S and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound Name2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170726104
Molecular FormulaC25H26FN9S
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC Name2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCN1C[C@@H]2C[C@H]1CN2c1nccc(Nc2cc3nc(-c4ccnc(N5CC[C@@H](F)C5)c4)sc3cn2)n1
InChIInChI=1S/C25H26FN9S/c1-33-13-18-9-17(33)14-35(18)25-28-6-3-21(32-25)31-22-10-19-20(11-29-22)36-24(30-19)15-2-5-27-23(8-15)34-7-4-16(26)12-34/h2-3,5-6,8,10-11,16-18H,4,7,9,12-14H2,1H3,(H,28,29,31,32)/t16-,17+,18+/m1/s1
InChIKeyNYGISUVOOGMUOG-SQNIBIBYSA-N
XLogP3.73
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170726104) is 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is CN1C[C@@H]2C[C@H]1CN2c1nccc(Nc2cc3nc(-c4ccnc(N5CC[C@@H](F)C5)c4)sc3cn2)n1.
What is the InChIKey of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is NYGISUVOOGMUOG-SQNIBIBYSA-N. The full InChI is InChI=1S/C25H26FN9S/c1-33-13-18-9-17(33)14-35(18)25-28-6-3-21(32-25)31-22-10-19-20(11-29-22)36-24(30-19)15-2-5-27-23(8-15)34-7-4-16(26)12-34/h2-3,5-6,8,10-11,16-18H,4,7,9,12-14H2,1H3,(H,28,29,31,32)/t16-,17+,18+/m1/s1.
What are the key properties of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 503.61 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-N-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170726104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).