(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid

C24H37N7O3 — CID 142610849

IUPAC(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid
SMILESCCc1nc(-c2cnn(C)c2CN(N)/C=C(\N)CC2CC2)ncc1OC1CCCCC1.O=CO
InChIInChI=1S/C23H35N7O.CH2O2/c1-3-20-22(31-18-7-5-4-6-8-18)13-26-23(28-20)19-12-27-29(2)21(19)15-30(25)14-17(24)11-16-9-10-16;2-1-3/h12-14,16,18H,3-11,15,24-25H2,1-2H3;1H,(H,2,3)/b17-14-;
InChIKeyMOWRDTXXBWYEDP-SBBUSYCLSA-N
MW471.61 g/mol
LogP3.13
Rot. Bonds9

About (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid

(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid (PubChem CID 142610849) has the molecular formula C24H37N7O3 and a molecular weight of 471.61 g/mol. Its IUPAC name is (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid.

Molecular Properties

Compound Name(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid
PubChem CID142610849
Molecular FormulaC24H37N7O3
Molecular Weight471.61 g/mol
Exact Mass471.30
IUPAC Name(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid
SMILESCCc1nc(-c2cnn(C)c2CN(N)/C=C(\N)CC2CC2)ncc1OC1CCCCC1.O=CO
InChIInChI=1S/C23H35N7O.CH2O2/c1-3-20-22(31-18-7-5-4-6-8-18)13-26-23(28-20)19-12-27-29(2)21(19)15-30(25)14-17(24)11-16-9-10-16;2-1-3/h12-14,16,18H,3-11,15,24-25H2,1-2H3;1H,(H,2,3)/b17-14-;
InChIKeyMOWRDTXXBWYEDP-SBBUSYCLSA-N
XLogP3.13
TPSA145.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid with MolForge

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Related Compounds

[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
CID 175877043
N-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]-4-ethoxypyrimidin-2-amine
CID 175903037
2-[5-(bromomethyl)-1-methylpyrazol-4-yl]-5-cyclohexyloxy-4-methylpyrimidine
CID 167132021
trans-(1S,3S)-3-[2-[5-[2-(cyclopropylmethoxy)-2-oxoethyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 158954898
trans-(1S,3S)-3-[2-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 155142400
butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193605
5-bromo-4-ethyl-2-[1-methyl-5-(oxan-2-yloxymethyl)pyrazol-4-yl]pyrimidine
CID 169096053
benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
trans-propan-2-yl (1S,3S)-3-[4-methyl-2-[1-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]pyrimidin-5-yl]oxycyclohexane-1-carboxylate
CID 161401837
2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 170193695
N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 167132052
trans-propan-2-yl (1S,3S)-3-[2-(5-formyl-1-methylpyrazol-4-yl)-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylate
CID 155226945

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid?
The IUPAC name of (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid (CID 142610849) is (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid.
What is the SMILES notation for (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid?
The canonical SMILES for (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid is CCc1nc(-c2cnn(C)c2CN(N)/C=C(\N)CC2CC2)ncc1OC1CCCCC1.O=CO.
What is the InChIKey of (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid?
The InChIKey is MOWRDTXXBWYEDP-SBBUSYCLSA-N. The full InChI is InChI=1S/C23H35N7O.CH2O2/c1-3-20-22(31-18-7-5-4-6-8-18)13-26-23(28-20)19-12-27-29(2)21(19)15-30(25)14-17(24)11-16-9-10-16;2-1-3/h12-14,16,18H,3-11,15,24-25H2,1-2H3;1H,(H,2,3)/b17-14-;.
What are the key properties of (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid?
(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid has a molecular weight of 471.61 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid is sourced from PubChem (CID 142610849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).