N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide

C23H26N6O — CID 55620860

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C23H26N6O/c1-15-18(16(2)29-23(26-15)19-7-5-6-8-20(19)27-29)10-12-22(30)25-14-17-9-11-21(24-13-17)28(3)4/h5-9,11,13H,10,12,14H2,1-4H3,(H,25,30)
InChIKeyWIUBZNXBDRECQA-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.21
Rot. Bonds6

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide (PubChem CID 55620860) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
PubChem CID55620860
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C23H26N6O/c1-15-18(16(2)29-23(26-15)19-7-5-6-8-20(19)27-29)10-12-22(30)25-14-17-9-11-21(24-13-17)28(3)4/h5-9,11,13H,10,12,14H2,1-4H3,(H,25,30)
InChIKeyWIUBZNXBDRECQA-UHFFFAOYSA-N
XLogP3.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-hydroxypropyl)propanamide
CID 78855998
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111429259
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-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507242
6-[3-[[6-(diethylamino)-3-pyridinyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55847907
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 41331796
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 32634209
N-[[4-(dimethylamino)phenyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
CID 55475078
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide;hydrochloride
CID 119566802
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 41331787
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78868909

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide (CID 55620860) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N(C)C)nc1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The InChIKey is WIUBZNXBDRECQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-15-18(16(2)29-23(26-15)19-7-5-6-8-20(19)27-29)10-12-22(30)25-14-17-9-11-21(24-13-17)28(3)4/h5-9,11,13H,10,12,14H2,1-4H3,(H,25,30).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide has a molecular weight of 402.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide is sourced from PubChem (CID 55620860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).