piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C23H25N7OS — CID 45232540

IUPACpiperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESO=C(c1nc2sccn2c1CN1CCc2[nH]cnc2C1c1ccncc1)N1CCCCC1
InChIInChI=1S/C23H25N7OS/c31-22(28-9-2-1-3-10-28)20-18(30-12-13-32-23(30)27-20)14-29-11-6-17-19(26-15-25-17)21(29)16-4-7-24-8-5-16/h4-5,7-8,12-13,15,21H,1-3,6,9-11,14H2,(H,25,26)
InChIKeyKOWTURNKOZACFT-UHFFFAOYSA-N
MW447.57 g/mol
LogP3.29
Rot. Bonds4

About piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 45232540) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID45232540
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Namepiperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESO=C(c1nc2sccn2c1CN1CCc2[nH]cnc2C1c1ccncc1)N1CCCCC1
InChIInChI=1S/C23H25N7OS/c31-22(28-9-2-1-3-10-28)20-18(30-12-13-32-23(30)27-20)14-29-11-6-17-19(26-15-25-17)21(29)16-4-7-24-8-5-16/h4-5,7-8,12-13,15,21H,1-3,6,9-11,14H2,(H,25,26)
InChIKeyKOWTURNKOZACFT-UHFFFAOYSA-N
XLogP3.29
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone with MolForge

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Related Compounds

azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45203962
azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 25274060
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45182768
azocan-1-yl-[5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42291044
azocan-1-yl-[5-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45182905
[5-[(3-hydroxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 56878530
[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 124758325
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633
(4S)-5-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95190130
N-propan-2-yl-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 21330714
[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 45232540) is piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is O=C(c1nc2sccn2c1CN1CCc2[nH]cnc2C1c1ccncc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is KOWTURNKOZACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c31-22(28-9-2-1-3-10-28)20-18(30-12-13-32-23(30)27-20)14-29-11-6-17-19(26-15-25-17)21(29)16-4-7-24-8-5-16/h4-5,7-8,12-13,15,21H,1-3,6,9-11,14H2,(H,25,26).
What are the key properties of piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 447.57 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 45232540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).