1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C25H30N6O2 — CID 124946154

IUPAC1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESCc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1
InChIInChI=1S/C25H30N6O2/c1-16-12-18(17-6-8-24(26)27-14-17)13-22(28-16)23-15-31(10-11-33-23)25(32)9-7-21-19-4-2-3-5-20(19)29-30-21/h6,8,12-14,23H,2-5,7,9-11,15H2,1H3,(H2,26,27)(H,29,30)/t23-/m1/s1
InChIKeyBWFRAVJQVPQECB-HSZRJFAPSA-N
MW446.56 g/mol
LogP3.17
Rot. Bonds5

About 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 124946154) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID124946154
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESCc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1
InChIInChI=1S/C25H30N6O2/c1-16-12-18(17-6-8-24(26)27-14-17)13-22(28-16)23-15-31(10-11-33-23)25(32)9-7-21-19-4-2-3-5-20(19)29-30-21/h6,8,12-14,23H,2-5,7,9-11,15H2,1H3,(H2,26,27)(H,29,30)/t23-/m1/s1
InChIKeyBWFRAVJQVPQECB-HSZRJFAPSA-N
XLogP3.17
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 124946154) is 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is BWFRAVJQVPQECB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16-12-18(17-6-8-24(26)27-14-17)13-22(28-16)23-15-31(10-11-33-23)25(32)9-7-21-19-4-2-3-5-20(19)29-30-21/h6,8,12-14,23H,2-5,7,9-11,15H2,1H3,(H2,26,27)(H,29,30)/t23-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 124946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).