2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide

C17H18N8O2 — CID 58014951

IUPAC2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)Cn1ncc2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc21
InChIInChI=1S/C17H18N8O2/c18-14(26)8-25-13-5-11(2-1-9(13)6-21-25)23-17-20-7-12(15(19)27)16(24-17)22-10-3-4-10/h1-2,5-7,10H,3-4,8H2,(H2,18,26)(H2,19,27)(H2,20,22,23,24)
InChIKeyOSDKWHXTHRSYFE-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.73
Rot. Bonds7

About 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide

2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 58014951) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID58014951
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)Cn1ncc2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc21
InChIInChI=1S/C17H18N8O2/c18-14(26)8-25-13-5-11(2-1-9(13)6-21-25)23-17-20-7-12(15(19)27)16(24-17)22-10-3-4-10/h1-2,5-7,10H,3-4,8H2,(H2,18,26)(H2,19,27)(H2,20,22,23,24)
InChIKeyOSDKWHXTHRSYFE-UHFFFAOYSA-N
XLogP0.73
TPSA153.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 44594230
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44594939
4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 44540822
4-(cyclopropylamino)-2-[4-[methyl(propanoyl)amino]anilino]pyrimidine-5-carboxamide
CID 58014826
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014871
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 153028738
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
4-(cyclopropylamino)-2-[4-[4-(2-methoxyacetyl)piperazin-1-yl]anilino]pyrimidine-5-carboxamide
CID 44594663

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide (CID 58014951) is 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide is NC(=O)Cn1ncc2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc21.
What is the InChIKey of 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is OSDKWHXTHRSYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c18-14(26)8-25-13-5-11(2-1-9(13)6-21-25)23-17-20-7-12(15(19)27)16(24-17)22-10-3-4-10/h1-2,5-7,10H,3-4,8H2,(H2,18,26)(H2,19,27)(H2,20,22,23,24).
What are the key properties of 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 58014951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).