2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C24H23FN6O2 — CID 146310375

IUPAC2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCOc1cc(C)c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3cc2F)cn1
InChIInChI=1S/C24H23FN6O2/c1-14-6-23(33-3)27-12-19(14)18-7-15-9-21(26-11-16(15)8-20(18)25)28-22-10-17-4-5-30(2)24(32)13-31(17)29-22/h6-12H,4-5,13H2,1-3H3,(H,26,28,29)
InChIKeyMJLAYLOBGNELTN-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.71
Rot. Bonds4

About 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 146310375) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID146310375
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCOc1cc(C)c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3cc2F)cn1
InChIInChI=1S/C24H23FN6O2/c1-14-6-23(33-3)27-12-19(14)18-7-15-9-21(26-11-16(15)8-20(18)25)28-22-10-17-4-5-30(2)24(32)13-31(17)29-22/h6-12H,4-5,13H2,1-3H3,(H,26,28,29)
InChIKeyMJLAYLOBGNELTN-UHFFFAOYSA-N
XLogP3.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 146310375) is 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is COc1cc(C)c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3cc2F)cn1.
What is the InChIKey of 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is MJLAYLOBGNELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-6-23(33-3)27-12-19(14)18-7-15-9-21(26-11-16(15)8-20(18)25)28-22-10-17-4-5-30(2)24(32)13-31(17)29-22/h6-12H,4-5,13H2,1-3H3,(H,26,28,29).
What are the key properties of 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 446.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-6-(6-methoxy-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 146310375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).