tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate

C26H33N5O3 — CID 166765004

IUPACtert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H33N5O3/c1-17-16-30(12-13-31(17)24(32)34-25(2,3)4)22-14-18(8-11-27-22)23-20-15-19(33-26(5)9-10-26)6-7-21(20)28-29-23/h6-8,11,14-15,17H,9-10,12-13,16H2,1-5H3,(H,28,29)
InChIKeyHTAFZBZJJVYWIC-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.00
Rot. Bonds4

About tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 166765004) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID166765004
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Nametert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H33N5O3/c1-17-16-30(12-13-31(17)24(32)34-25(2,3)4)22-14-18(8-11-27-22)23-20-15-19(33-26(5)9-10-26)6-7-21(20)28-29-23/h6-8,11,14-15,17H,9-10,12-13,16H2,1-5H3,(H,28,29)
InChIKeyHTAFZBZJJVYWIC-UHFFFAOYSA-N
XLogP5.00
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 78324047
(2S,3S,4S)-2-methyl-1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 78320567
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 90398386
tert-butyl (2R)-4-(4-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 97176975
6-fluoro-5-[1-[(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-yloxy]-3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazole
CID 166765077
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096
tert-butyl 4-[2-[(2S,6R)-2,6-dimethyl-4-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;3-[2-[(3R,5S)-3,5-dimethyl-4-(2-piperazin-1-ylethyl)piperazin-1-yl]-4-pyridinyl]-5-nitro-1H-indazole
CID 163927364
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 166765004) is tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate is CC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is HTAFZBZJJVYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17-16-30(12-13-31(17)24(32)34-25(2,3)4)22-14-18(8-11-27-22)23-20-15-19(33-26(5)9-10-26)6-7-21(20)28-29-23/h6-8,11,14-15,17H,9-10,12-13,16H2,1-5H3,(H,28,29).
What are the key properties of tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 166765004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).