3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C25H29N7O — CID 162664304

IUPAC3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn6c5OCCC6)cc43)ccn2)C[C@H](C)N1C
InChIInChI=1S/C25H29N7O/c1-17-15-30(16-18(2)29(17)3)24-12-21(7-8-26-24)32-23-11-19(5-6-20(23)13-28-32)22-14-27-31-9-4-10-33-25(22)31/h5-8,11-14,17-18H,4,9-10,15-16H2,1-3H3/t17-,18+
InChIKeyLKYYAHORWPSARA-HDICACEKSA-N
MW443.56 g/mol
LogP3.60
Rot. Bonds3

About 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 162664304) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID162664304
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn6c5OCCC6)cc43)ccn2)C[C@H](C)N1C
InChIInChI=1S/C25H29N7O/c1-17-15-30(16-18(2)29(17)3)24-12-21(7-8-26-24)32-23-11-19(5-6-20(23)13-28-32)22-14-27-31-9-4-10-33-25(22)31/h5-8,11-14,17-18H,4,9-10,15-16H2,1-3H3/t17-,18+
InChIKeyLKYYAHORWPSARA-HDICACEKSA-N
XLogP3.60
TPSA64.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 162664304) is 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn6c5OCCC6)cc43)ccn2)C[C@H](C)N1C.
What is the InChIKey of 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is LKYYAHORWPSARA-HDICACEKSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17-15-30(16-18(2)29(17)3)24-12-21(7-8-26-24)32-23-11-19(5-6-20(23)13-28-32)22-14-27-31-9-4-10-33-25(22)31/h5-8,11-14,17-18H,4,9-10,15-16H2,1-3H3/t17-,18+.
What are the key properties of 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 443.56 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 162664304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).