5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole

C21H25ClN6O — CID 155381562

IUPAC5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C21H25ClN6O/c1-21(13-29-14-21)26-6-4-25(5-7-26)20-9-19-15(8-18(20)22)10-24-28(19)17-11-23-27(12-17)16-2-3-16/h8-12,16H,2-7,13-14H2,1H3
InChIKeyQPKRALQZRMMSSU-UHFFFAOYSA-N
MW412.93 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole

5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole (PubChem CID 155381562) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole.

Molecular Properties

Compound Name5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
PubChem CID155381562
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC Name5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1
InChIInChI=1S/C21H25ClN6O/c1-21(13-29-14-21)26-6-4-25(5-7-26)20-9-19-15(8-18(20)22)10-24-28(19)17-11-23-27(12-17)16-2-3-16/h8-12,16H,2-7,13-14H2,1H3
InChIKeyQPKRALQZRMMSSU-UHFFFAOYSA-N
XLogP3.12
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The IUPAC name of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole (CID 155381562) is 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole.
What is the SMILES notation for 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The canonical SMILES for 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole is CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)COC1.
What is the InChIKey of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
The InChIKey is QPKRALQZRMMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O/c1-21(13-29-14-21)26-6-4-25(5-7-26)20-9-19-15(8-18(20)22)10-24-28(19)17-11-23-27(12-17)16-2-3-16/h8-12,16H,2-7,13-14H2,1H3.
What are the key properties of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole?
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole has a molecular weight of 412.93 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole is sourced from PubChem (CID 155381562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).