9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

C30H25N5O4 — CID 171948756

IUPAC9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESN#Cc1cnn2cc(C(=O)C3CC4COCC(C3)N4C(=O)OCC3c4ccccc4-c4ccccc43)cnc12
InChIInChI=1S/C30H25N5O4/c31-11-19-13-33-34-14-20(12-32-29(19)34)28(36)18-9-21-15-38-16-22(10-18)35(21)30(37)39-17-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,12-14,18,21-22,27H,9-10,15-17H2
InChIKeyPGPYNENLAFPNAS-UHFFFAOYSA-N
MW519.56 g/mol
LogP4.21
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171948756) has the molecular formula C30H25N5O4 and a molecular weight of 519.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171948756
Molecular FormulaC30H25N5O4
Molecular Weight519.56 g/mol
Exact Mass519.19
IUPAC Name9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESN#Cc1cnn2cc(C(=O)C3CC4COCC(C3)N4C(=O)OCC3c4ccccc4-c4ccccc43)cnc12
InChIInChI=1S/C30H25N5O4/c31-11-19-13-33-34-14-20(12-32-29(19)34)28(36)18-9-21-15-38-16-22(10-18)35(21)30(37)39-17-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,12-14,18,21-22,27H,9-10,15-17H2
InChIKeyPGPYNENLAFPNAS-UHFFFAOYSA-N
XLogP4.21
TPSA109.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl 7-(4-methylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950842
9H-fluoren-9-ylmethyl 7-(4-cyano-3-phenylmethoxybenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939171
9H-fluoren-9-ylmethyl 3-(2-methylpyrimidine-5-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950703
9H-fluoren-9-ylmethyl 7-[4-cyano-3-(trifluoromethyl)benzoyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171942542
9H-fluoren-9-ylmethyl 7-(pyrazine-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937499
6-(9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 171948746
9H-fluoren-9-ylmethyl 7-(3-methoxy-4-methylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171947077
9H-fluoren-9-ylmethyl 7-(3,5-dimethylpyridine-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943690
9-O-(9H-fluoren-9-ylmethyl) 7-O-methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
CID 171936324
9H-fluoren-9-ylmethyl 7-(2-methylpyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950401
9H-fluoren-9-ylmethyl 7-(3-methylpyridine-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950327
9H-fluoren-9-ylmethyl 7-(4-cyano-2-methylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171946305

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171948756) is 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is N#Cc1cnn2cc(C(=O)C3CC4COCC(C3)N4C(=O)OCC3c4ccccc4-c4ccccc43)cnc12.
What is the InChIKey of 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is PGPYNENLAFPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O4/c31-11-19-13-33-34-14-20(12-32-29(19)34)28(36)18-9-21-15-38-16-22(10-18)35(21)30(37)39-17-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,12-14,18,21-22,27H,9-10,15-17H2.
What are the key properties of 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 519.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 7-(3-cyanopyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171948756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).