1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one

C19H26N10O — CID 174114784

IUPAC1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one
SMILESC/N=C/C(=NN)C(=O)N1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C19H26N10O/c1-21-11-15(26-20)18(30)29-8-5-13(6-9-29)23-19-22-7-4-16(25-19)24-17-10-14(27-28-17)12-2-3-12/h4,7,10-13H,2-3,5-6,8-9,20H2,1H3,(H3,22,23,24,25,27,28)/b21-11+,26-15?
InChIKeyMNQMVCPMTOGBLA-OGPGKZKASA-N
MW410.49 g/mol
LogP1.24
Rot. Bonds7

About 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one

1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one (PubChem CID 174114784) has the molecular formula C19H26N10O and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one.

Molecular Properties

Compound Name1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one
PubChem CID174114784
Molecular FormulaC19H26N10O
Molecular Weight410.49 g/mol
Exact Mass410.23
IUPAC Name1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one
SMILESC/N=C/C(=NN)C(=O)N1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C19H26N10O/c1-21-11-15(26-20)18(30)29-8-5-13(6-9-29)23-19-22-7-4-16(25-19)24-17-10-14(27-28-17)12-2-3-12/h4,7,10-13H,2-3,5-6,8-9,20H2,1H3,(H3,22,23,24,25,27,28)/b21-11+,26-15?
InChIKeyMNQMVCPMTOGBLA-OGPGKZKASA-N
XLogP1.24
TPSA149.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one?
The IUPAC name of 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one (CID 174114784) is 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one.
What is the SMILES notation for 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one?
The canonical SMILES for 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one is C/N=C/C(=NN)C(=O)N1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1.
What is the InChIKey of 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one?
The InChIKey is MNQMVCPMTOGBLA-OGPGKZKASA-N. The full InChI is InChI=1S/C19H26N10O/c1-21-11-15(26-20)18(30)29-8-5-13(6-9-29)23-19-22-7-4-16(25-19)24-17-10-14(27-28-17)12-2-3-12/h4,7,10-13H,2-3,5-6,8-9,20H2,1H3,(H3,22,23,24,25,27,28)/b21-11+,26-15?.
What are the key properties of 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one?
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one has a molecular weight of 410.49 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one is sourced from PubChem (CID 174114784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).