N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C23H26F2N8S — CID 134422703

IUPACN-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCC(C)(F)F)CC4)ccn3)sc2n1
InChIInChI=1S/C23H26F2N8S/c1-15-17(14-27-31-15)18-3-4-19-21(28-18)34-22(29-19)30-20-13-16(5-7-26-20)33-11-9-32(10-12-33)8-6-23(2,24)25/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,27,31)(H,26,29,30)
InChIKeyAZMJCRXGSFPLMZ-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.70
Rot. Bonds7

About N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 134422703) has the molecular formula C23H26F2N8S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID134422703
Molecular FormulaC23H26F2N8S
Molecular Weight484.58 g/mol
Exact Mass484.20
IUPAC NameN-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCC(C)(F)F)CC4)ccn3)sc2n1
InChIInChI=1S/C23H26F2N8S/c1-15-17(14-27-31-15)18-3-4-19-21(28-18)34-22(29-19)30-20-13-16(5-7-26-20)33-11-9-32(10-12-33)8-6-23(2,24)25/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,27,31)(H,26,29,30)
InChIKeyAZMJCRXGSFPLMZ-UHFFFAOYSA-N
XLogP4.70
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 134422703) is N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCC(C)(F)F)CC4)ccn3)sc2n1.
What is the InChIKey of N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is AZMJCRXGSFPLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8S/c1-15-17(14-27-31-15)18-3-4-19-21(28-18)34-22(29-19)30-20-13-16(5-7-26-20)33-11-9-32(10-12-33)8-6-23(2,24)25/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,27,31)(H,26,29,30).
What are the key properties of N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 484.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 134422703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).