6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol

C21H25N5O2 — CID 167504054

IUPAC6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)c(-c3ccc(N4CCC(NC(C)C5CC5)C4)nn3)cc2o1
InChIInChI=1S/C21H25N5O2/c1-12(14-3-4-14)22-15-7-8-26(11-15)21-6-5-17(24-25-21)16-9-20-18(10-19(16)27)23-13(2)28-20/h5-6,9-10,12,14-15,22,27H,3-4,7-8,11H2,1-2H3
InChIKeyVXJANQPKVLJQGQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.27
Rot. Bonds5

About 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol

6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol (PubChem CID 167504054) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
PubChem CID167504054
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
SMILESCc1nc2cc(O)c(-c3ccc(N4CCC(NC(C)C5CC5)C4)nn3)cc2o1
InChIInChI=1S/C21H25N5O2/c1-12(14-3-4-14)22-15-7-8-26(11-15)21-6-5-17(24-25-21)16-9-20-18(10-19(16)27)23-13(2)28-20/h5-6,9-10,12,14-15,22,27H,3-4,7-8,11H2,1-2H3
InChIKeyVXJANQPKVLJQGQ-UHFFFAOYSA-N
XLogP3.27
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[6-[(3S)-3-(2,3-dimethylbutan-2-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 167504212
6-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433427
6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433516
6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433586
6-[6-[(3S)-3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433802
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
CID 167504261
6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 167504136
6-[6-[3-(tert-butylamino)-3-methylpyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 167504005
5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol
CID 167503461
5-[6-[3-[[5-[[1-[6-(5-hydroxy-2,7-dimethyl-1,3-benzoxazol-6-yl)pyridazin-3-yl]pyrrolidin-3-yl]amino]-2,5-dimethylhexan-2-yl]amino]pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-ol
CID 167504134
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
CID 168977833
6-[6-[(3S)-3-cyclopropylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 168977289

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol?
The IUPAC name of 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol (CID 167504054) is 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol is Cc1nc2cc(O)c(-c3ccc(N4CCC(NC(C)C5CC5)C4)nn3)cc2o1.
What is the InChIKey of 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol?
The InChIKey is VXJANQPKVLJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12(14-3-4-14)22-15-7-8-26(11-15)21-6-5-17(24-25-21)16-9-20-18(10-19(16)27)23-13(2)28-20/h5-6,9-10,12,14-15,22,27H,3-4,7-8,11H2,1-2H3.
What are the key properties of 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol?
6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol has a molecular weight of 379.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(1-cyclopropylethylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 167504054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).