N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide

C26H24FN5O2 — CID 167522247

IUPACN-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)c1cncc2ccccc12
InChIInChI=1S/C26H24FN5O2/c27-20-7-3-5-16-11-22(30-24(16)20)26(34)31-21(10-15-8-9-15)25(33)32-23(12-28)19-14-29-13-17-4-1-2-6-18(17)19/h1-7,13-15,21-23,30H,8-11H2,(H,31,34)(H,32,33)
InChIKeyVIYOPEYFXNMKSR-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.38
Rot. Bonds7

About N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide

N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 167522247) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID167522247
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)c1cncc2ccccc12
InChIInChI=1S/C26H24FN5O2/c27-20-7-3-5-16-11-22(30-24(16)20)26(34)31-21(10-15-8-9-15)25(33)32-23(12-28)19-14-29-13-17-4-1-2-6-18(17)19/h1-7,13-15,21-23,30H,8-11H2,(H,31,34)(H,32,33)
InChIKeyVIYOPEYFXNMKSR-UHFFFAOYSA-N
XLogP3.38
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide (CID 167522247) is N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide is N#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)c1cncc2ccccc12.
What is the InChIKey of N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VIYOPEYFXNMKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-20-7-3-5-16-11-22(30-24(16)20)26(34)31-21(10-15-8-9-15)25(33)32-23(12-28)19-14-29-13-17-4-1-2-6-18(17)19/h1-7,13-15,21-23,30H,8-11H2,(H,31,34)(H,32,33).
What are the key properties of N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[cyano(isoquinolin-4-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).