N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide

C24H19FN4O — CID 175855736

IUPACN-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
SMILESN#C[C@@]1(c2cc3cc(NC(=O)C4CC4c4ccccn4)ncc3cc2F)CC12CC2
InChIInChI=1S/C24H19FN4O/c25-19-8-15-11-28-21(29-22(30)17-10-16(17)20-3-1-2-6-27-20)9-14(15)7-18(19)24(13-26)12-23(24)4-5-23/h1-3,6-9,11,16-17H,4-5,10,12H2,(H,28,29,30)/t16?,17?,24-/m1/s1
InChIKeyKBXJUXHQRACYAN-XSVIMGFGSA-N
MW398.44 g/mol
LogP4.46
Rot. Bonds4

About N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide

N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 175855736) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID175855736
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
SMILESN#C[C@@]1(c2cc3cc(NC(=O)C4CC4c4ccccn4)ncc3cc2F)CC12CC2
InChIInChI=1S/C24H19FN4O/c25-19-8-15-11-28-21(29-22(30)17-10-16(17)20-3-1-2-6-27-20)9-14(15)7-18(19)24(13-26)12-23(24)4-5-23/h1-3,6-9,11,16-17H,4-5,10,12H2,(H,28,29,30)/t16?,17?,24-/m1/s1
InChIKeyKBXJUXHQRACYAN-XSVIMGFGSA-N
XLogP4.46
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-N-[6-[(2R)-2-cyanospiro[2.2]pentan-2-yl]isoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
CID 172536844
N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
CID 172536875
N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 172536672
trans-(1S,2S)-N-[7-fluoro-6-[4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
CID 163277687
trans-(1R,2R)-N-[7-chloro-6-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]isoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
CID 172536266
2-(5-chloro-1-methylpyrazol-4-yl)-N-[6-(2-cyanospiro[2.2]pentan-2-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 172536922
trans-(1R,2R)-N-[6-[4-[(3R,4R)-4-fluoro-3-methyloxolan-3-yl]piperazin-1-yl]-7-methylisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
CID 163277420
N-[7-methyl-6-[1-(3-methyloxolan-3-yl)piperidin-4-yl]isoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide
CID 172536827
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742
cis-(1S,2R)-N-[7-chloro-6-[4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-2-pyridin-2-ylcyclobutane-1-carboxamide
CID 163277777
trans-(1S,2S)-N-[7-chloro-6-[4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-2-pyridin-2-ylcyclobutane-1-carboxamide
CID 163277831
N-[7-chloro-6-(4-cyano-4-methylpiperidin-1-yl)isoquinolin-3-yl]-2-pyrimidin-5-ylcyclopropane-1-carboxamide
CID 163277676

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide (CID 175855736) is N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide is N#C[C@@]1(c2cc3cc(NC(=O)C4CC4c4ccccn4)ncc3cc2F)CC12CC2.
What is the InChIKey of N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is KBXJUXHQRACYAN-XSVIMGFGSA-N. The full InChI is InChI=1S/C24H19FN4O/c25-19-8-15-11-28-21(29-22(30)17-10-16(17)20-3-1-2-6-27-20)9-14(15)7-18(19)24(13-26)12-23(24)4-5-23/h1-3,6-9,11,16-17H,4-5,10,12H2,(H,28,29,30)/t16?,17?,24-/m1/s1.
What are the key properties of N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide?
N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2-cyanospiro[2.2]pentan-2-yl]-7-fluoroisoquinolin-3-yl]-2-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 175855736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).