7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane

C17H17ClN6O — CID 155381725

IUPAC7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane
SMILESClc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1C2CNCC1O2
InChIInChI=1S/C17H17ClN6O/c18-13-3-10-5-21-24(12-6-20-22(9-12)11-1-2-11)14(10)4-15(13)23-16-7-19-8-17(23)25-16/h3-6,9,11,16-17,19H,1-2,7-8H2
InChIKeyFICMLQMNIAHUCE-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.30
Rot. Bonds3

About 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane

7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane (PubChem CID 155381725) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane
PubChem CID155381725
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane
SMILESClc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1C2CNCC1O2
InChIInChI=1S/C17H17ClN6O/c18-13-3-10-5-21-24(12-6-20-22(9-12)11-1-2-11)14(10)4-15(13)23-16-7-19-8-17(23)25-16/h3-6,9,11,16-17,19H,1-2,7-8H2
InChIKeyFICMLQMNIAHUCE-UHFFFAOYSA-N
XLogP2.30
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-5-chloro-6-[4-[(3R,4R)-4-methoxyoxolan-3-yl]piperazin-1-yl]indazole
CID 162664098
US12030872, Example 7.3
CID 153575175
5-Chloro-1-(1-cyclopropylpyrazol-4-yl)-6-[4-(3-methyloxolan-3-yl)piperazin-1-yl]indazole
CID 155369150
5-Chloro-1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 155381336
US12319671, Example 7.13
CID 155381337
US12319671, Example 7.7
CID 155381477
US12319671, Example 4.1
CID 155381562
US20230303540, Example Ex-1.33
CID 162748067
5-Chloro-1-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazole
CID 177380067
3-[4-[5-Chloro-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]indazol-1-yl]pyrazol-1-yl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 177380068
(3R,4R)-4-[4-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 177380069
(3S,4R)-4-[4-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 177380070

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane?
The IUPAC name of 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane (CID 155381725) is 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane is Clc1cc2cnn(-c3cnn(C4CC4)c3)c2cc1N1C2CNCC1O2.
What is the InChIKey of 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane?
The InChIKey is FICMLQMNIAHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-13-3-10-5-21-24(12-6-20-22(9-12)11-1-2-11)14(10)4-15(13)23-16-7-19-8-17(23)25-16/h3-6,9,11,16-17,19H,1-2,7-8H2.
What are the key properties of 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane?
7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane has a molecular weight of 356.82 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-6-oxa-3,7-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 155381725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).