[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone

C24H28N8O — CID 66599607

IUPAC[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone
SMILESCc1n[nH]c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1
InChIInChI=1S/C24H28N8O/c1-14-21(15(2)30-29-14)19-13-16(7-10-25-19)22(33)24-26-18-5-6-20(27-23(18)28-24)32-11-8-17(9-12-32)31(3)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,29,30)(H,26,27,28)
InChIKeyMGKFAGTZWMNNBL-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.12
Rot. Bonds5

About [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone

[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone (PubChem CID 66599607) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone
PubChem CID66599607
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone
SMILESCc1n[nH]c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1
InChIInChI=1S/C24H28N8O/c1-14-21(15(2)30-29-14)19-13-16(7-10-25-19)22(33)24-26-18-5-6-20(27-23(18)28-24)32-11-8-17(9-12-32)31(3)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,29,30)(H,26,27,28)
InChIKeyMGKFAGTZWMNNBL-UHFFFAOYSA-N
XLogP3.12
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone?
The IUPAC name of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone (CID 66599607) is [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone?
The canonical SMILES for [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone is Cc1n[nH]c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1.
What is the InChIKey of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone?
The InChIKey is MGKFAGTZWMNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-14-21(15(2)30-29-14)19-13-16(7-10-25-19)22(33)24-26-18-5-6-20(27-23(18)28-24)32-11-8-17(9-12-32)31(3)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,29,30)(H,26,27,28).
What are the key properties of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone?
[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone has a molecular weight of 444.54 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 66599607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).