5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole

C20H24ClN5O — CID 162502647

IUPAC5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
SMILESCn1cc(-n2ncc3cc(Cl)c(C4CCN([C@@H]5CCOC5)CC4)cc32)cn1
InChIInChI=1S/C20H24ClN5O/c1-24-12-17(11-22-24)26-20-9-18(19(21)8-15(20)10-23-26)14-2-5-25(6-3-14)16-4-7-27-13-16/h8-12,14,16H,2-7,13H2,1H3/t16-/m1/s1
InChIKeyBKSAHRDBXVKPPZ-MRXNPFEDSA-N
MW385.90 g/mol
LogP3.38
Rot. Bonds3

About 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole

5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole (PubChem CID 162502647) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole.

Molecular Properties

Compound Name5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
PubChem CID162502647
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
SMILESCn1cc(-n2ncc3cc(Cl)c(C4CCN([C@@H]5CCOC5)CC4)cc32)cn1
InChIInChI=1S/C20H24ClN5O/c1-24-12-17(11-22-24)26-20-9-18(19(21)8-15(20)10-23-26)14-2-5-25(6-3-14)16-4-7-27-13-16/h8-12,14,16H,2-7,13H2,1H3/t16-/m1/s1
InChIKeyBKSAHRDBXVKPPZ-MRXNPFEDSA-N
XLogP3.38
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole?
The IUPAC name of 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole (CID 162502647) is 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole.
What is the SMILES notation for 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole?
The canonical SMILES for 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole is Cn1cc(-n2ncc3cc(Cl)c(C4CCN([C@@H]5CCOC5)CC4)cc32)cn1.
What is the InChIKey of 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole?
The InChIKey is BKSAHRDBXVKPPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-24-12-17(11-22-24)26-20-9-18(19(21)8-15(20)10-23-26)14-2-5-25(6-3-14)16-4-7-27-13-16/h8-12,14,16H,2-7,13H2,1H3/t16-/m1/s1.
What are the key properties of 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole?
5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole has a molecular weight of 385.90 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole is sourced from PubChem (CID 162502647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).