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

C22H27ClN6O — CID 155369150

IUPAC5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1
InChIInChI=1S/C22H27ClN6O/c1-22(4-9-30-15-22)27-7-5-26(6-8-27)21-11-20-16(10-19(21)23)12-25-29(20)18-13-24-28(14-18)17-2-3-17/h10-14,17H,2-9,15H2,1H3
InChIKeySZQZMAGNJVDDDR-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.51
Rot. Bonds4

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

5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole (PubChem CID 155369150) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole.

Molecular Properties

Compound Name5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole
PubChem CID155369150
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Name5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole
SMILESCC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1
InChIInChI=1S/C22H27ClN6O/c1-22(4-9-30-15-22)27-7-5-26(6-8-27)21-11-20-16(10-19(21)23)12-25-29(20)18-13-24-28(14-18)17-2-3-17/h10-14,17H,2-9,15H2,1H3
InChIKeySZQZMAGNJVDDDR-UHFFFAOYSA-N
XLogP3.51
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole?
The IUPAC name of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole (CID 155369150) is 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole.
What is the SMILES notation for 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole?
The canonical SMILES for 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole is CC1(N2CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)CCOC1.
What is the InChIKey of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole?
The InChIKey is SZQZMAGNJVDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O/c1-22(4-9-30-15-22)27-7-5-26(6-8-27)21-11-20-16(10-19(21)23)12-25-29(20)18-13-24-28(14-18)17-2-3-17/h10-14,17H,2-9,15H2,1H3.
What are the key properties of 5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole?
5-chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole has a molecular weight of 426.95 g/mol, XLogP of 3.51, 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-methyloxolan-3-yl)piperazin-1-yl]indazole is sourced from PubChem (CID 155369150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).