3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole

C27H34N6 — CID 176963171

IUPAC3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole
SMILESc1nc(-c2n[nH]c3ccc(C4CC45CC5)cc23)cc(N2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C27H34N6/c1-2-4-19(5-3-1)17-32-10-12-33(13-11-32)25-15-24(28-18-29-25)26-21-14-20(6-7-23(21)30-31-26)22-16-27(22)8-9-27/h6-7,14-15,18-19,22H,1-5,8-13,16-17H2,(H,30,31)
InChIKeyRQAYTIPMUYMBEB-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.99
Rot. Bonds5

About 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole

3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole (PubChem CID 176963171) has the molecular formula C27H34N6 and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole.

Molecular Properties

Compound Name3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole
PubChem CID176963171
Molecular FormulaC27H34N6
Molecular Weight442.61 g/mol
Exact Mass442.28
IUPAC Name3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole
SMILESc1nc(-c2n[nH]c3ccc(C4CC45CC5)cc23)cc(N2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C27H34N6/c1-2-4-19(5-3-1)17-32-10-12-33(13-11-32)25-15-24(28-18-29-25)26-21-14-20(6-7-23(21)30-31-26)22-16-27(22)8-9-27/h6-7,14-15,18-19,22H,1-5,8-13,16-17H2,(H,30,31)
InChIKeyRQAYTIPMUYMBEB-UHFFFAOYSA-N
XLogP4.99
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole 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-[3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]spiro[2.3]hexane-5-carbonitrile
CID 176963226
5-[3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]spiro[2.3]hexane-5-carbonitrile
CID 176963128
3-[6-[4-[[4-[(3-fluoroazetidin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165137965
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-[(1-methylcyclopropyl)methyl]-1H-indazole;3-[6-(4-hydroxypiperidin-1-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171080308
4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 130414249
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 156867090
3-[4-[[(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]propanal
CID 165136959
3-[7-fluoro-6-[4-[[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165137145
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 165136538
[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 90398462

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole?
The IUPAC name of 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole (CID 176963171) is 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole.
What is the SMILES notation for 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole?
The canonical SMILES for 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole is c1nc(-c2n[nH]c3ccc(C4CC45CC5)cc23)cc(N2CCN(CC3CCCCC3)CC2)n1.
What is the InChIKey of 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole?
The InChIKey is RQAYTIPMUYMBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6/c1-2-4-19(5-3-1)17-32-10-12-33(13-11-32)25-15-24(28-18-29-25)26-21-14-20(6-7-23(21)30-31-26)22-16-27(22)8-9-27/h6-7,14-15,18-19,22H,1-5,8-13,16-17H2,(H,30,31).
What are the key properties of 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole?
3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole has a molecular weight of 442.61 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole is sourced from PubChem (CID 176963171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).