3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide

C23H21ClN6O2 — CID 25175324

IUPAC3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide
SMILESCn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)cccc21
InChIInChI=1S/C23H21ClN6O2/c1-30-19-7-3-6-18(20(19)21(25)29-30)22(31)27-17-5-2-4-14(12-17)13-26-23(32)28-16-10-8-15(24)9-11-16/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32)
InChIKeyOGBFOBBIQJOMCO-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.38
Rot. Bonds5

About 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide

3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide (PubChem CID 25175324) has the molecular formula C23H21ClN6O2 and a molecular weight of 448.91 g/mol. Its IUPAC name is 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide
PubChem CID25175324
Molecular FormulaC23H21ClN6O2
Molecular Weight448.91 g/mol
Exact Mass448.14
IUPAC Name3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide
SMILESCn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)cccc21
InChIInChI=1S/C23H21ClN6O2/c1-30-19-7-3-6-18(20(19)21(25)29-30)22(31)27-17-5-2-4-14(12-17)13-26-23(32)28-16-10-8-15(24)9-11-16/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32)
InChIKeyOGBFOBBIQJOMCO-UHFFFAOYSA-N
XLogP4.38
TPSA114.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
CID 25175157
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
3-amino-7-methoxy-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide
CID 66721663
3-amino-7-methoxy-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide
CID 25174826
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea
CID 174614613
1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223424
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide?
The IUPAC name of 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide (CID 25175324) is 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide is Cn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)cccc21.
What is the InChIKey of 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide?
The InChIKey is OGBFOBBIQJOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2/c1-30-19-7-3-6-18(20(19)21(25)29-30)22(31)27-17-5-2-4-14(12-17)13-26-23(32)28-16-10-8-15(24)9-11-16/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32).
What are the key properties of 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide?
3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 4.38, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide is sourced from PubChem (CID 25175324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).