2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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

C20H20FN9S — CID 170726232

IUPAC2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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
SMILESCc1cc(Nc2cc3nc(-n4cc(F)cn4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C20H20FN9S/c1-11-3-18(27-19(24-11)29-10-13-4-14(29)9-28(13)2)26-17-5-15-16(7-22-17)31-20(25-15)30-8-12(21)6-23-30/h3,5-8,13-14H,4,9-10H2,1-2H3,(H,22,24,26,27)/t13-,14-/m0/s1
InChIKeyLASCPBXCGSKMSC-KBPBESRZSA-N
MW437.51 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 170726232) has the molecular formula C20H20FN9S and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 CID170726232
Molecular FormulaC20H20FN9S
Molecular Weight437.51 g/mol
Exact Mass437.15
IUPAC Name2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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
SMILESCc1cc(Nc2cc3nc(-n4cc(F)cn4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C20H20FN9S/c1-11-3-18(27-19(24-11)29-10-13-4-14(29)9-28(13)2)26-17-5-15-16(7-22-17)31-20(25-15)30-8-12(21)6-23-30/h3,5-8,13-14H,4,9-10H2,1-2H3,(H,22,24,26,27)/t13-,14-/m0/s1
InChIKeyLASCPBXCGSKMSC-KBPBESRZSA-N
XLogP2.75
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 170726232) is 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 Cc1cc(Nc2cc3nc(-n4cc(F)cn4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 LASCPBXCGSKMSC-KBPBESRZSA-N. The full InChI is InChI=1S/C20H20FN9S/c1-11-3-18(27-19(24-11)29-10-13-4-14(29)9-28(13)2)26-17-5-15-16(7-22-17)31-20(25-15)30-8-12(21)6-23-30/h3,5-8,13-14H,4,9-10H2,1-2H3,(H,22,24,26,27)/t13-,14-/m0/s1.
What are the key properties of 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 437.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropyrazol-1-yl)-N-[6-methyl-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 170726232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).