N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide

C22H29N7O2 — CID 24768428

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide
SMILESCCN[C@@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1
InChIInChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m1/s1
InChIKeyKMMAIJQUGOQJIO-QGZVFWFLSA-N
MW423.52 g/mol
LogP2.47
Rot. Bonds7

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 24768428) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide
PubChem CID24768428
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide
SMILESCCN[C@@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1
InChIInChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m1/s1
InChIKeyKMMAIJQUGOQJIO-QGZVFWFLSA-N
XLogP2.47
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide (CID 24768428) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide is CCN[C@@H]1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)C1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is KMMAIJQUGOQJIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m1/s1.
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 24768428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).