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

C22H20FN7S — CID 170725738

IUPACN-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cccnc1-c1nc2cc(Nc3ccc(F)c(N4C[C@@H]5C[C@H]4CN5)n3)ncc2s1
InChIInChI=1S/C22H20FN7S/c1-12-3-2-6-24-20(12)22-27-16-8-19(26-10-17(16)31-22)28-18-5-4-15(23)21(29-18)30-11-13-7-14(30)9-25-13/h2-6,8,10,13-14,25H,7,9,11H2,1H3,(H,26,28,29)/t13-,14-/m0/s1
InChIKeyBHMNNAORPIFGOX-KBPBESRZSA-N
MW433.52 g/mol
LogP3.89
Rot. Bonds4

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

N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725738) has the molecular formula C22H20FN7S and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725738
Molecular FormulaC22H20FN7S
Molecular Weight433.52 g/mol
Exact Mass433.15
IUPAC NameN-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cccnc1-c1nc2cc(Nc3ccc(F)c(N4C[C@@H]5C[C@H]4CN5)n3)ncc2s1
InChIInChI=1S/C22H20FN7S/c1-12-3-2-6-24-20(12)22-27-16-8-19(26-10-17(16)31-22)28-18-5-4-15(23)21(29-18)30-11-13-7-14(30)9-25-13/h2-6,8,10,13-14,25H,7,9,11H2,1H3,(H,26,28,29)/t13-,14-/m0/s1
InChIKeyBHMNNAORPIFGOX-KBPBESRZSA-N
XLogP3.89
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

Ulecaciclib
CID 126535127
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-6-piperazin-1-yl pyridin-2-amine
CID 15979138
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylpyridin-2-amine
CID 16091079
N-(4-(benzo[d]thiazol-2-yl)phenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 44564751
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482680
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-4-yl)thiazolo[4,5-b]pyridine
CID 45482685
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482709
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-c]pyridin-6-yl)pyridin-2-amine
CID 45482746

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725738) is N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cccnc1-c1nc2cc(Nc3ccc(F)c(N4C[C@@H]5C[C@H]4CN5)n3)ncc2s1.
What is the InChIKey of N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is BHMNNAORPIFGOX-KBPBESRZSA-N. The full InChI is InChI=1S/C22H20FN7S/c1-12-3-2-6-24-20(12)22-27-16-8-19(26-10-17(16)31-22)28-18-5-4-15(23)21(29-18)30-11-13-7-14(30)9-25-13/h2-6,8,10,13-14,25H,7,9,11H2,1H3,(H,26,28,29)/t13-,14-/m0/s1.
What are the key properties of N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 433.52 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluoro-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).