N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide

C25H25N5O2 — CID 24587179

IUPACN-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C25H25N5O2/c1-15-20(16(2)30-24(26-15)21-5-3-4-6-22(21)29-30)13-14-23(31)27-18-9-7-17(8-10-18)25(32)28-19-11-12-19/h3-10,19H,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyDCKDGJLECFXAME-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.96
Rot. Bonds6

About N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide

N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide (PubChem CID 24587179) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
PubChem CID24587179
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C25H25N5O2/c1-15-20(16(2)30-24(26-15)21-5-3-4-6-22(21)29-30)13-14-23(31)27-18-9-7-17(8-10-18)25(32)28-19-11-12-19/h3-10,19H,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyDCKDGJLECFXAME-UHFFFAOYSA-N
XLogP3.96
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 17480071
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 41337104
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 24618252
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 17470885
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705370
N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24656121
N-(4-acetamido-3-chlorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 41305553
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 86898251
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370690
N-[cyclopropyl(phenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46513404

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide (CID 24587179) is N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide?
The InChIKey is DCKDGJLECFXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15-20(16(2)30-24(26-15)21-5-3-4-6-22(21)29-30)13-14-23(31)27-18-9-7-17(8-10-18)25(32)28-19-11-12-19/h3-10,19H,11-14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide?
N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide has a molecular weight of 427.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 24587179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).