N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide

C21H29N5O — CID 119654934

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C21H29N5O/c1-14-16(10-11-19(27)25(5)13-21(3,4)12-22)15(2)26-20(23-14)17-8-6-7-9-18(17)24-26/h6-9H,10-13,22H2,1-5H3
InChIKeySCLHGAMQUGPRNX-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.88
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide

N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide (PubChem CID 119654934) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
PubChem CID119654934
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C21H29N5O/c1-14-16(10-11-19(27)25(5)13-21(3,4)12-22)15(2)26-20(23-14)17-8-6-7-9-18(17)24-26/h6-9H,10-13,22H2,1-5H3
InChIKeySCLHGAMQUGPRNX-UHFFFAOYSA-N
XLogP2.88
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 112806596
N-[[4-(dimethylamino)phenyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
CID 55475078
N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 24658429
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 17482492
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 41447091
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-hydroxypropyl)propanamide
CID 78855998
(2-ethoxyphenyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
CID 55476602
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)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 24620333
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide;hydrochloride
CID 119566802
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one;hydrochloride
CID 119436252

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide (CID 119654934) is N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The InChIKey is SCLHGAMQUGPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14-16(10-11-19(27)25(5)13-21(3,4)12-22)15(2)26-20(23-14)17-8-6-7-9-18(17)24-26/h6-9H,10-13,22H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide has a molecular weight of 367.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 119654934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).