3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C23H31N5O — CID 17470885

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C23H31N5O/c1-15(2)27-13-11-18(12-14-27)25-22(29)10-9-19-16(3)24-23-20-7-5-6-8-21(20)26-28(23)17(19)4/h5-8,15,18H,9-14H2,1-4H3,(H,25,29)
InChIKeyVIVHOSKKNZZPMX-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.42
Rot. Bonds5

About 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 17470885) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID17470885
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C23H31N5O/c1-15(2)27-13-11-18(12-14-27)25-22(29)10-9-19-16(3)24-23-20-7-5-6-8-21(20)26-28(23)17(19)4/h5-8,15,18H,9-14H2,1-4H3,(H,25,29)
InChIKeyVIVHOSKKNZZPMX-UHFFFAOYSA-N
XLogP3.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705370
N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
CID 24587179
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
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111429259
N-[cyclopropyl(phenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46513404
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55721520
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide;hydrochloride
CID 119603111
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 55478692
N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 24658429
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-pyrrolidin-1-ylpropan-1-one
CID 17482492

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 17470885) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is VIVHOSKKNZZPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-15(2)27-13-11-18(12-14-27)25-22(29)10-9-19-16(3)24-23-20-7-5-6-8-21(20)26-28(23)17(19)4/h5-8,15,18H,9-14H2,1-4H3,(H,25,29).
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 393.54 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 17470885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).