tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile

C47H48N16O2 — CID 167561978

IUPACtert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCNCC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C26H28N8O2.C21H20N8/c1-26(2,3)36-25(35)33-9-7-32(8-10-33)23-6-5-18(14-28-23)22-11-19(20-15-30-31(4)17-20)12-24-29-16-21(13-27)34(22)24;1-27-14-17(12-26-27)16-8-19(29-18(10-22)13-25-21(29)9-16)15-2-3-20(24-11-15)28-6-4-23-5-7-28/h5-6,11-12,14-17H,7-10H2,1-4H3;2-3,8-9,11-14,23H,4-7H2,1H3
InChIKeyDTXXRVZGWIKOSW-UHFFFAOYSA-N
MW869.01 g/mol
LogP5.80
Rot. Bonds6

About tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile

tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 167561978) has the molecular formula C47H48N16O2 and a molecular weight of 869.01 g/mol. Its IUPAC name is tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Nametert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID167561978
Molecular FormulaC47H48N16O2
Molecular Weight869.01 g/mol
Exact Mass868.41
IUPAC Nametert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCNCC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C26H28N8O2.C21H20N8/c1-26(2,3)36-25(35)33-9-7-32(8-10-33)23-6-5-18(14-28-23)22-11-19(20-15-30-31(4)17-20)12-24-29-16-21(13-27)34(22)24;1-27-14-17(12-26-27)16-8-19(29-18(10-22)13-25-21(29)9-16)15-2-3-20(24-11-15)28-6-4-23-5-7-28/h5-6,11-12,14-17H,7-10H2,1-4H3;2-3,8-9,11-14,23H,4-7H2,1H3
InChIKeyDTXXRVZGWIKOSW-UHFFFAOYSA-N
XLogP5.80
TPSA191.65 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.01
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 157128500
5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 163975060
7-(2-methyl-1,5-dihydropyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 155301240
5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 149125509
N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
CID 171521019
tert-butyl 4-[5-(3-cyano-1H-indol-6-yl)-2-pyridinyl]piperazine-1-carboxylate;ethane
CID 164553944
tert-butyl 4-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 155181405
tert-butyl 4-[5-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate
CID 134504949
tert-butyl 4-[5-[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 90178561
tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 140882208
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 157170486

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 167561978) is tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)n3c(C#N)cnc3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCNCC4)nc3)n3c(C#N)cnc3c2)cn1.
What is the InChIKey of tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is DTXXRVZGWIKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2.C21H20N8/c1-26(2,3)36-25(35)33-9-7-32(8-10-33)23-6-5-18(14-28-23)22-11-19(20-15-30-31(4)17-20)12-24-29-16-21(13-27)34(22)24;1-27-14-17(12-26-27)16-8-19(29-18(10-22)13-25-21(29)9-16)15-2-3-20(24-11-15)28-6-4-23-5-7-28/h5-6,11-12,14-17H,7-10H2,1-4H3;2-3,8-9,11-14,23H,4-7H2,1H3.
What are the key properties of tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile?
tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 869.01 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167561978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).