N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide

C28H37N7O3 — CID 168869055

IUPACN-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCCc1n[nH]c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2CCCOC)C(C2CC2)C2CC2)nc1
InChIInChI=1S/C28H37N7O3/c1-4-21-24(17(2)33-34-21)20-10-11-23(29-16-20)31-28(37)26(25(18-6-7-18)19-8-9-19)32-27(36)22-12-13-30-35(22)14-5-15-38-3/h10-13,16,18-19,25-26H,4-9,14-15H2,1-3H3,(H,32,36)(H,33,34)(H,29,31,37)
InChIKeyXDSDGULAOGDVOD-UHFFFAOYSA-N
MW519.65 g/mol
LogP3.75
Rot. Bonds13

About N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide

N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide (PubChem CID 168869055) has the molecular formula C28H37N7O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide
PubChem CID168869055
Molecular FormulaC28H37N7O3
Molecular Weight519.65 g/mol
Exact Mass519.30
IUPAC NameN-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCCc1n[nH]c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2CCCOC)C(C2CC2)C2CC2)nc1
InChIInChI=1S/C28H37N7O3/c1-4-21-24(17(2)33-34-21)20-10-11-23(29-16-20)31-28(37)26(25(18-6-7-18)19-8-9-19)32-27(36)22-12-13-30-35(22)14-5-15-38-3/h10-13,16,18-19,25-26H,4-9,14-15H2,1-3H3,(H,32,36)(H,33,34)(H,29,31,37)
InChIKeyXDSDGULAOGDVOD-UHFFFAOYSA-N
XLogP3.75
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide (CID 168869055) is N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide is CCc1n[nH]c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2CCCOC)C(C2CC2)C2CC2)nc1.
What is the InChIKey of N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide?
The InChIKey is XDSDGULAOGDVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O3/c1-4-21-24(17(2)33-34-21)20-10-11-23(29-16-20)31-28(37)26(25(18-6-7-18)19-8-9-19)32-27(36)22-12-13-30-35(22)14-5-15-38-3/h10-13,16,18-19,25-26H,4-9,14-15H2,1-3H3,(H,32,36)(H,33,34)(H,29,31,37).
What are the key properties of N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide?
N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 3.75, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 168869055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).