[2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine

C24H32F2N6O — CID 90400269

IUPAC[2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine
SMILESC=C(c1cc(N2CCN(C(C)C(F)F)[C@H](C)C2)ncn1)c1cc(OC2(C)CC2)ccc1NN
InChIInChI=1S/C24H32F2N6O/c1-15-13-31(9-10-32(15)17(3)23(25)26)22-12-21(28-14-29-22)16(2)19-11-18(5-6-20(19)30-27)33-24(4)7-8-24/h5-6,11-12,14-15,17,23,30H,2,7-10,13,27H2,1,3-4H3/t15-,17?/m1/s1
InChIKeyIASOSMLSSOEMPV-LDCVWXEPSA-N
MW458.56 g/mol
LogP3.92
Rot. Bonds8

About [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine

[2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine (PubChem CID 90400269) has the molecular formula C24H32F2N6O and a molecular weight of 458.56 g/mol. Its IUPAC name is [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine.

Molecular Properties

Compound Name[2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine
PubChem CID90400269
Molecular FormulaC24H32F2N6O
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name[2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine
SMILESC=C(c1cc(N2CCN(C(C)C(F)F)[C@H](C)C2)ncn1)c1cc(OC2(C)CC2)ccc1NN
InChIInChI=1S/C24H32F2N6O/c1-15-13-31(9-10-32(15)17(3)23(25)26)22-12-21(28-14-29-22)16(2)19-11-18(5-6-20(19)30-27)33-24(4)7-8-24/h5-6,11-12,14-15,17,23,30H,2,7-10,13,27H2,1,3-4H3/t15-,17?/m1/s1
InChIKeyIASOSMLSSOEMPV-LDCVWXEPSA-N
XLogP3.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine?
The IUPAC name of [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine (CID 90400269) is [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine.
What is the SMILES notation for [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine?
The canonical SMILES for [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine is C=C(c1cc(N2CCN(C(C)C(F)F)[C@H](C)C2)ncn1)c1cc(OC2(C)CC2)ccc1NN.
What is the InChIKey of [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine?
The InChIKey is IASOSMLSSOEMPV-LDCVWXEPSA-N. The full InChI is InChI=1S/C24H32F2N6O/c1-15-13-31(9-10-32(15)17(3)23(25)26)22-12-21(28-14-29-22)16(2)19-11-18(5-6-20(19)30-27)33-24(4)7-8-24/h5-6,11-12,14-15,17,23,30H,2,7-10,13,27H2,1,3-4H3/t15-,17?/m1/s1.
What are the key properties of [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine?
[2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine has a molecular weight of 458.56 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]ethenyl]-4-(1-methylcyclopropyl)oxyphenyl]hydrazine is sourced from PubChem (CID 90400269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).