N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide

C19H21N5O — CID 56909755

IUPACN-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCCc1cc(N[C@@H]2c3ccccc3C[C@H]2NC(C)=O)n2nccc2n1
InChIInChI=1S/C19H21N5O/c1-3-14-11-18(24-17(22-14)8-9-20-24)23-19-15-7-5-4-6-13(15)10-16(19)21-12(2)25/h4-9,11,16,19,23H,3,10H2,1-2H3,(H,21,25)/t16-,19-/m1/s1
InChIKeyQUFVRUOUFOSJEU-VQIMIIECSA-N
MW335.41 g/mol
LogP2.51
Rot. Bonds4

About N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide

N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 56909755) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID56909755
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCCc1cc(N[C@@H]2c3ccccc3C[C@H]2NC(C)=O)n2nccc2n1
InChIInChI=1S/C19H21N5O/c1-3-14-11-18(24-17(22-14)8-9-20-24)23-19-15-7-5-4-6-13(15)10-16(19)21-12(2)25/h4-9,11,16,19,23H,3,10H2,1-2H3,(H,21,25)/t16-,19-/m1/s1
InChIKeyQUFVRUOUFOSJEU-VQIMIIECSA-N
XLogP2.51
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 56904558
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
CID 95718361
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56895664
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
CID 72898601
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(furan-2-yl)ethanol
CID 70720346
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207084
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide (CID 56909755) is N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide is CCc1cc(N[C@@H]2c3ccccc3C[C@H]2NC(C)=O)n2nccc2n1.
What is the InChIKey of N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is QUFVRUOUFOSJEU-VQIMIIECSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-14-11-18(24-17(22-14)8-9-20-24)23-19-15-7-5-4-6-13(15)10-16(19)21-12(2)25/h4-9,11,16,19,23H,3,10H2,1-2H3,(H,21,25)/t16-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 56909755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).