N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C19H20N8OS2 — CID 58925645

IUPACN-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3cnc(C4CCNCC4)s3)c2s1)C1CC1
InChIInChI=1S/C19H20N8OS2/c28-17(10-1-2-10)24-19-23-15-14(30-19)16(26-25-15)27-9-21-7-12(27)13-8-22-18(29-13)11-3-5-20-6-4-11/h7-11,20H,1-6H2,(H2,23,24,25,26,28)
InChIKeyFQCFPNPRLNPHJH-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.14
Rot. Bonds5

About N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925645) has the molecular formula C19H20N8OS2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925645
Molecular FormulaC19H20N8OS2
Molecular Weight440.56 g/mol
Exact Mass440.12
IUPAC NameN-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3cnc(C4CCNCC4)s3)c2s1)C1CC1
InChIInChI=1S/C19H20N8OS2/c28-17(10-1-2-10)24-19-23-15-14(30-19)16(26-25-15)27-9-21-7-12(27)13-8-22-18(29-13)11-3-5-20-6-4-11/h7-11,20H,1-6H2,(H2,23,24,25,26,28)
InChIKeyFQCFPNPRLNPHJH-UHFFFAOYSA-N
XLogP3.14
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925645) is N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2[nH]nc(-n3cncc3-c3cnc(C4CCNCC4)s3)c2s1)C1CC1.
What is the InChIKey of N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is FQCFPNPRLNPHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8OS2/c28-17(10-1-2-10)24-19-23-15-14(30-19)16(26-25-15)27-9-21-7-12(27)13-8-22-18(29-13)11-3-5-20-6-4-11/h7-11,20H,1-6H2,(H2,23,24,25,26,28).
What are the key properties of N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 440.56 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-piperidin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).