2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine

C22H32FN7O — CID 68682564

IUPAC2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine
SMILESCc1cc(-c2ncc(F)c(C3CCCC3C(N)=O)n2)ccc1N1CCN(C)CC1.NN
InChIInChI=1S/C22H28FN5O.H4N2/c1-14-12-15(6-7-19(14)28-10-8-27(2)9-11-28)22-25-13-18(23)20(26-22)16-4-3-5-17(16)21(24)29;1-2/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3,(H2,24,29);1-2H2
InChIKeyLKUPOUTXHFHFKG-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.53
Rot. Bonds4

About 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine

2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine (PubChem CID 68682564) has the molecular formula C22H32FN7O and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine.

Molecular Properties

Compound Name2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine
PubChem CID68682564
Molecular FormulaC22H32FN7O
Molecular Weight429.54 g/mol
Exact Mass429.27
IUPAC Name2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine
SMILESCc1cc(-c2ncc(F)c(C3CCCC3C(N)=O)n2)ccc1N1CCN(C)CC1.NN
InChIInChI=1S/C22H28FN5O.H4N2/c1-14-12-15(6-7-19(14)28-10-8-27(2)9-11-28)22-25-13-18(23)20(26-22)16-4-3-5-17(16)21(24)29;1-2/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3,(H2,24,29);1-2H2
InChIKeyLKUPOUTXHFHFKG-UHFFFAOYSA-N
XLogP1.53
TPSA127.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.53
H-Bond Donors ≤ 53
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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Related Compounds

cis-(1R,2S)-2-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide;cis-(1S,2R)-2-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide;trans-(1S,2S)-2-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide;trans-(1R,2R)-2-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 157393807
trans-methyl (1S,2S)-2-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxylate
CID 59381783
1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
CID 144901537
trans-(1S,3S)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 58320383
3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
CID 62121474
3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 66890408
benzoic acid;3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 66872872
N-cyclopropyl-N-methyl-4-[5-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274683
methyl 3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxylate
CID 66873221
4-N-[2-(3-bicyclo[3.3.1]nonanyl)ethyl]-5-fluoro-2-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 130308264
[4-[5-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-(1,3-oxazolidin-3-yl)methanone
CID 146274855
(1S,2S,4R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2S,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide;3-methyl-4-(1-methylpiperidin-4-yl)aniline
CID 158729725

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine?
The IUPAC name of 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine (CID 68682564) is 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine.
What is the SMILES notation for 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine?
The canonical SMILES for 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine is Cc1cc(-c2ncc(F)c(C3CCCC3C(N)=O)n2)ccc1N1CCN(C)CC1.NN.
What is the InChIKey of 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine?
The InChIKey is LKUPOUTXHFHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O.H4N2/c1-14-12-15(6-7-19(14)28-10-8-27(2)9-11-28)22-25-13-18(23)20(26-22)16-4-3-5-17(16)21(24)29;1-2/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3,(H2,24,29);1-2H2.
What are the key properties of 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine?
2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine has a molecular weight of 429.54 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]cyclopentane-1-carboxamide;hydrazine is sourced from PubChem (CID 68682564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).