(7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one

C21H25N9O — CID 166026514

About (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one

(7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 166026514) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

• Compound Name: (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one
• PubChem CID: 166026514
• Molecular Formula: C21H25N9O
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.22
• IUPAC Name: (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one
• SMILES: Cc1nc(NCc2cnn(Cc3ccc(N)nc3)c2)nc2c1NC(=O)[C@@H](C1CC1)N2C
• InChI: InChI=1S/C21H25N9O/c1-12-17-19(29(2)18(15-4-5-15)20(31)27-17)28-21(26-12)24-8-14-9-25-30(11-14)10-13-3-6-16(22)23-7-13/h3,6-7,9,11,15,18H,4-5,8,10H2,1-2H3,(H2,22,23)(H,27,31)(H,24,26,28)/t18-/m1/s1
• InChIKey: SVOGFUPGBGAKFI-GOSISDBHSA-N
• XLogP: 1.79
• TPSA: 126.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one?

The IUPAC name of (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one (CID 166026514) is (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one.

What is the SMILES notation for (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one?

The canonical SMILES for (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one is Cc1nc(NCc2cnn(Cc3ccc(N)nc3)c2)nc2c1NC(=O)[C@@H](C1CC1)N2C.

What is the InChIKey of (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one?

The InChIKey is SVOGFUPGBGAKFI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N9O/c1-12-17-19(29(2)18(15-4-5-15)20(31)27-17)28-21(26-12)24-8-14-9-25-30(11-14)10-13-3-6-16(22)23-7-13/h3,6-7,9,11,15,18H,4-5,8,10H2,1-2H3,(H2,22,23)(H,27,31)(H,24,26,28)/t18-/m1/s1.

What are the key properties of (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one?

(7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 419.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[[1-[(6-amino-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-cyclopropyl-4,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 166026514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).