5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol

C20H26N6O — CID 167503461

IUPAC5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3ccc(N4CC[C@H](NC(C)(C)C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C20H26N6O/c1-20(2,3)21-14-7-8-26(12-14)19-6-5-16(22-23-19)15-9-13-11-25(4)24-17(13)10-18(15)27/h5-6,9-11,14,21,27H,7-8,12H2,1-4H3/t14-/m0/s1
InChIKeySASNBEDUXBHVPM-AWEZNQCLSA-N
MW366.47 g/mol
LogP2.70
Rot. Bonds3

About 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol

5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol (PubChem CID 167503461) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol
PubChem CID167503461
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3ccc(N4CC[C@H](NC(C)(C)C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C20H26N6O/c1-20(2,3)21-14-7-8-26(12-14)19-6-5-16(22-23-19)15-9-13-11-25(4)24-17(13)10-18(15)27/h5-6,9-11,14,21,27H,7-8,12H2,1-4H3/t14-/m0/s1
InChIKeySASNBEDUXBHVPM-AWEZNQCLSA-N
XLogP2.70
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433822
5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433627
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
CID 167504261
2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 162433630
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
6-[6-[(3S)-3-(2,3-dimethylbutan-2-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 167504212
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167504154
2-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol
CID 167504178
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol
CID 167504016
5-[4-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-2-methylpyridazin-3-one
CID 167504145
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol
CID 168977780
2-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyrimidin-4-yl)phenol
CID 167503531

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol?
The IUPAC name of 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol (CID 167503461) is 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol.
What is the SMILES notation for 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol?
The canonical SMILES for 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol is Cn1cc2cc(-c3ccc(N4CC[C@H](NC(C)(C)C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol?
The InChIKey is SASNBEDUXBHVPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N6O/c1-20(2,3)21-14-7-8-26(12-14)19-6-5-16(22-23-19)15-9-13-11-25(4)24-17(13)10-18(15)27/h5-6,9-11,14,21,27H,7-8,12H2,1-4H3/t14-/m0/s1.
What are the key properties of 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol?
5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol has a molecular weight of 366.47 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol is sourced from PubChem (CID 167503461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).