N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine

C25H30ClN7O2 — CID 144622318

IUPACN-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC=N/C(=C\C(=N/COc1ccc2[nH]c(C)cc2c1Cl)N1CCC(OC)C1)Nc1cc(/C=C/C)[nH]n1
InChIInChI=1S/C25H30ClN7O2/c1-5-6-17-12-23(32-31-17)30-22(27-3)13-24(33-10-9-18(14-33)34-4)28-15-35-21-8-7-20-19(25(21)26)11-16(2)29-20/h5-8,11-13,18,29H,3,9-10,14-15H2,1-2,4H3,(H2,30,31,32)/b6-5+,22-13+,28-24+
InChIKeyKJURAISQIHPAME-VQDQAFKDSA-N
MW496.02 g/mol
LogP5.00
Rot. Bonds9

About N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine

N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 144622318) has the molecular formula C25H30ClN7O2 and a molecular weight of 496.02 g/mol. Its IUPAC name is N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
PubChem CID144622318
Molecular FormulaC25H30ClN7O2
Molecular Weight496.02 g/mol
Exact Mass495.21
IUPAC NameN-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC=N/C(=C\C(=N/COc1ccc2[nH]c(C)cc2c1Cl)N1CCC(OC)C1)Nc1cc(/C=C/C)[nH]n1
InChIInChI=1S/C25H30ClN7O2/c1-5-6-17-12-23(32-31-17)30-22(27-3)13-24(33-10-9-18(14-33)34-4)28-15-35-21-8-7-20-19(25(21)26)11-16(2)29-20/h5-8,11-13,18,29H,3,9-10,14-15H2,1-2,4H3,(H2,30,31,32)/b6-5+,22-13+,28-24+
InChIKeyKJURAISQIHPAME-VQDQAFKDSA-N
XLogP5.00
TPSA102.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.02
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine with MolForge

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Related Compounds

US12404261, Example 75
CID 164549136
US12404261, Example 124b
CID 164549142
US12404261, Example 81
CID 164549147
US12404261, Example 124
CID 164549183
US12404261, Example 125
CID 164549211
US12404261, Example 97
CID 164549281
US12404261, Example 125b
CID 164549319
US12404261, Example 124a
CID 164549327
US12404261, Example 26
CID 164549341
US12404261, Example 125a
CID 164549345
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(3-methoxypyrrolidin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 78427683
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 90147129

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine (CID 144622318) is N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine is C=N/C(=C\C(=N/COc1ccc2[nH]c(C)cc2c1Cl)N1CCC(OC)C1)Nc1cc(/C=C/C)[nH]n1.
What is the InChIKey of N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is KJURAISQIHPAME-VQDQAFKDSA-N. The full InChI is InChI=1S/C25H30ClN7O2/c1-5-6-17-12-23(32-31-17)30-22(27-3)13-24(33-10-9-18(14-33)34-4)28-15-35-21-8-7-20-19(25(21)26)11-16(2)29-20/h5-8,11-13,18,29H,3,9-10,14-15H2,1-2,4H3,(H2,30,31,32)/b6-5+,22-13+,28-24+.
What are the key properties of N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 496.02 g/mol, XLogP of 5.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(3-methoxypyrrolidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 144622318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).