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

C25H24N8S — CID 87945561

IUPACN-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1ccc(CN2CCN(c3ccnc(Nc4nc5ccc(-c6cn[nH]c6)nc5s4)c3)CC2)cc1
InChIInChI=1S/C25H24N8S/c1-2-4-18(5-3-1)17-32-10-12-33(13-11-32)20-8-9-26-23(14-20)31-25-30-22-7-6-21(29-24(22)34-25)19-15-27-28-16-19/h1-9,14-16H,10-13,17H2,(H,27,28)(H,26,30,31)
InChIKeyDKUJDBKIOSUWED-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.54
Rot. Bonds6

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

N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945561) has the molecular formula C25H24N8S and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945561
Molecular FormulaC25H24N8S
Molecular Weight468.59 g/mol
Exact Mass468.18
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1ccc(CN2CCN(c3ccnc(Nc4nc5ccc(-c6cn[nH]c6)nc5s4)c3)CC2)cc1
InChIInChI=1S/C25H24N8S/c1-2-4-18(5-3-1)17-32-10-12-33(13-11-32)20-8-9-26-23(14-20)31-25-30-22-7-6-21(29-24(22)34-25)19-15-27-28-16-19/h1-9,14-16H,10-13,17H2,(H,27,28)(H,26,30,31)
InChIKeyDKUJDBKIOSUWED-UHFFFAOYSA-N
XLogP4.54
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945561) is N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is c1ccc(CN2CCN(c3ccnc(Nc4nc5ccc(-c6cn[nH]c6)nc5s4)c3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is DKUJDBKIOSUWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8S/c1-2-4-18(5-3-1)17-32-10-12-33(13-11-32)20-8-9-26-23(14-20)31-25-30-22-7-6-21(29-24(22)34-25)19-15-27-28-16-19/h1-9,14-16H,10-13,17H2,(H,27,28)(H,26,30,31).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 468.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).