N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine

C23H21FN8S — CID 176896300

IUPACN-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(n2cc(F)c3ncc(Nc4ncc(-c5ccnc6cccnc56)s4)nc32)CC1
InChIInChI=1S/C23H21FN8S/c1-31-9-5-14(6-10-31)32-13-16(24)21-22(32)29-19(12-27-21)30-23-28-11-18(33-23)15-4-8-25-17-3-2-7-26-20(15)17/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,28,29,30)
InChIKeyMACNJHVXVMGTBN-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.65
Rot. Bonds4

About N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine

N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine (PubChem CID 176896300) has the molecular formula C23H21FN8S and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine
PubChem CID176896300
Molecular FormulaC23H21FN8S
Molecular Weight460.54 g/mol
Exact Mass460.16
IUPAC NameN-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(n2cc(F)c3ncc(Nc4ncc(-c5ccnc6cccnc56)s4)nc32)CC1
InChIInChI=1S/C23H21FN8S/c1-31-9-5-14(6-10-31)32-13-16(24)21-22(32)29-19(12-27-21)30-23-28-11-18(33-23)15-4-8-25-17-3-2-7-26-20(15)17/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,28,29,30)
InChIKeyMACNJHVXVMGTBN-UHFFFAOYSA-N
XLogP4.65
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

Ikk-IN-3
CID 10215156
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
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
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 52920470
(1R,5S)-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 53378455
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
(3R)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 71718792
7-[[4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine
CID 71719998

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine (CID 176896300) is N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine is CN1CCC(n2cc(F)c3ncc(Nc4ncc(-c5ccnc6cccnc56)s4)nc32)CC1.
What is the InChIKey of N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is MACNJHVXVMGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8S/c1-31-9-5-14(6-10-31)32-13-16(24)21-22(32)29-19(12-27-21)30-23-28-11-18(33-23)15-4-8-25-17-3-2-7-26-20(15)17/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,28,29,30).
What are the key properties of N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine?
N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 460.54 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-5-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyrazin-3-yl]-5-(1,5-naphthyridin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 176896300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).