(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide

C24H23N7O — CID 157029756

IUPAC(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccnnc1)N(C)c1nc(-c2cc3ccccc3cn2)nc2c1CCC2
InChIInChI=1S/C24H23N7O/c1-15(24(32)28-18-10-11-26-27-14-18)31(2)23-19-8-5-9-20(19)29-22(30-23)21-12-16-6-3-4-7-17(16)13-25-21/h3-4,6-7,10-15H,5,8-9H2,1-2H3,(H,26,28,32)/t15-/m1/s1
InChIKeyRETZKFQXVWFQMK-OAHLLOKOSA-N
MW425.50 g/mol
LogP3.43
Rot. Bonds5

About (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide

(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide (PubChem CID 157029756) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide
PubChem CID157029756
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccnnc1)N(C)c1nc(-c2cc3ccccc3cn2)nc2c1CCC2
InChIInChI=1S/C24H23N7O/c1-15(24(32)28-18-10-11-26-27-14-18)31(2)23-19-8-5-9-20(19)29-22(30-23)21-12-16-6-3-4-7-17(16)13-25-21/h3-4,6-7,10-15H,5,8-9H2,1-2H3,(H,26,28,32)/t15-/m1/s1
InChIKeyRETZKFQXVWFQMK-OAHLLOKOSA-N
XLogP3.43
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide?
The IUPAC name of (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide (CID 157029756) is (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide.
What is the SMILES notation for (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide?
The canonical SMILES for (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide is C[C@H](C(=O)Nc1ccnnc1)N(C)c1nc(-c2cc3ccccc3cn2)nc2c1CCC2.
What is the InChIKey of (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide?
The InChIKey is RETZKFQXVWFQMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23N7O/c1-15(24(32)28-18-10-11-26-27-14-18)31(2)23-19-8-5-9-20(19)29-22(30-23)21-12-16-6-3-4-7-17(16)13-25-21/h3-4,6-7,10-15H,5,8-9H2,1-2H3,(H,26,28,32)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide?
(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide has a molecular weight of 425.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide is sourced from PubChem (CID 157029756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).