2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide

C19H20N8O — CID 165112332

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3c[nH]c4ccccc34)n2)cn1
InChIInChI=1S/C19H20N8O/c1-2-27-11-13(9-24-27)25-19-23-10-15(17(20)28)18(26-19)22-8-12-7-21-16-6-4-3-5-14(12)16/h3-7,9-11,21H,2,8H2,1H3,(H2,20,28)(H2,22,23,25,26)
InChIKeyJMVHTOGNSAVURB-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.63
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide

2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 165112332) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID165112332
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3c[nH]c4ccccc34)n2)cn1
InChIInChI=1S/C19H20N8O/c1-2-27-11-13(9-24-27)25-19-23-10-15(17(20)28)18(26-19)22-8-12-7-21-16-6-4-3-5-14(12)16/h3-7,9-11,21H,2,8H2,1H3,(H2,20,28)(H2,22,23,25,26)
InChIKeyJMVHTOGNSAVURB-UHFFFAOYSA-N
XLogP2.63
TPSA126.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2,3-dichlorophenyl)methylamino]-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 165112275
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 165112238
2-[(1-ethylpyrazol-4-yl)amino]-4-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidine-5-carboxamide
CID 165112309
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 155011100
2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide
CID 154628208
1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
CID 106766574
4-(but-3-enylamino)-2-[(1-tert-butylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 138495224
4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
CID 44561384
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
4-[(2-chlorophenyl)methylamino]-2-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 44561554
4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide (CID 165112332) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCc3c[nH]c4ccccc34)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is JMVHTOGNSAVURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-2-27-11-13(9-24-27)25-19-23-10-15(17(20)28)18(26-19)22-8-12-7-21-16-6-4-3-5-14(12)16/h3-7,9-11,21H,2,8H2,1H3,(H2,20,28)(H2,22,23,25,26).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).